Basic Information | Post buying leads | Suppliers |
Name |
1-[2-[(2R)-4-[2-[3,5-Bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-alpha,alpha-dimethyl-4-piperidineacetamide |
EINECS | N/A |
CAS No. | 537034-22-3 | Density | 1.332 g/cm3 |
PSA | 76.86000 | LogP | 7.96690 |
Solubility | N/A | Melting Point |
N/A |
Formula | C31H35Cl2F6N3O3 | Boiling Point | N/A |
Molecular Weight | 682.52 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
SSR 240600;Burapitant;4-Piperidineacetamide, 1-[2-[(2R)-4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-α,α-dimethyl-;2-[1-[2-[(2R)-4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide;1-[2-[(2R)-4-[2-[3,5-Bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-alpha,alpha-dimethyl-4-piperidineacetamide |
The 1-[2-[(2R)-4-[2-[3,5-Bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-alpha,alpha-dimethyl-4-piperidineacetamide, with the CAS registry number 537034-22-3, is also known as (R)-2-(1-(2-(4-(2-(3,5-bis(trifluoromethyl)phenyl)acetyl)-2-(3,4-dichlorophenyl)-2-morpholinyl)ethyl)-4-piperidinyl)-2-methylpropanamide. This chemical's molecular formula is C31H35Cl2F6N3O3 and molecular weight is 682.52. Its IUPAC name is called 2-[1-[2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide.
Physical properties of 1-[2-[(2R)-4-[2-[3,5-Bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)-2-morpholinyl]ethyl]-alpha,alpha-dimethyl-4-piperidineacetamide: (1)XLogP3-AA: 6.2; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 10; (4)Rotatable Bond Count: 8; (5)Tautomer Count: 2; (6)Exact Mass: 681.195967; (7)MonoIsotopic Mass: 681.195967; (8)Topological Polar Surface Area: 75.9; (9)Heavy Atom Count: 45; (10)Formal Charge: 0; (11)Complexity: 1020; (12)Undefined Atom StereoCenter Count: 1; (13)Covalently-Bonded Unit Count: 1; (14)Feature 3D Acceptor Count: 3; (15)Feature 3D Donor Count: 1; (16)Feature 3D Cation Count: 1; (17)Feature 3D Hydrophobe Count: 1; (18)Feature 3D Ring Count: 4.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C1CCN(CC1)CCC2(CN(CCO2)C(=O)CC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=C(C=C4)Cl)Cl)C(=O)N
(2)InChI: InChI=1S/C31H35Cl2F6N3O3/c1-28(2,27(40)44)20-5-8-41(9-6-20)10-7-29(21-3-4-24(32)25(33)17-21)18-42(11-12-45-29)26(43)15-19-13-22(30(34,35)36)16-23(14-19)31(37,38)39/h3-4,13-14,16-17,20H,5-12,15,18H2,1-2H3,(H2,40,44)
(3)InChIKey: ZLNYUCXXSDDIFU-UHFFFAOYSA-N