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865200-20-0

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Basic Information
CAS No.: 865200-20-0
Name: GIRIPLADIB
Article Data: 2
Molecular Structure:
Molecular Structure of 865200-20-0 (GIRIPLADIB)
Formula: C41H36ClF3N2O4S
Molecular Weight: 745.262
Synonyms: 4-(3-[5-Chloro-1-(diphenylmethyl)-2-[2-(((2-(trifluoromethyl)benzyl)sulfonyl)amino)ethyl]-1H-indole-3-yl]propyl)benzoicacid;Giripladib;PLA 695;
Density: 1.29 g/cm3
Boiling Point: 852.6±75.0 °C(Predicted)
PSA: 96.78000
LogP: 10.95850
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Specification

The Giripladib, with the CAS registry number 865200-20-0, is also known as 4-(3-[5-Chloro-1-(diphenylmethyl)-2-[2-(((2-(trifluoromethyl)benzyl)sulfonyl)amino)ethyl]-1H-indole-3-yl]propyl)benzoic acid. This chemical's molecular formula is C41H36ClF3N2O4S and molecular weight is 745.25. What's more, its IUPAC name is called 4-[3-[1-Benzhydryl-5-chloro-2-[2-[[2-(trifluoromethyl)phenyl]methylsulfonylamino]ethyl]indol-3-yl]propyl]benzoic acid. Classification code of Giripladib is Treatment of Pain and Symptomatic Management of Arthritis. Its density is 1.29 g/cm3.

Properties Computed from Structure are: (1) XLogP3-AA ;10; (2) H-Bond Donor; 2; (3) H-Bond Acceptor; 8; (4) Rotatable Bond Count; 14; (5) Tautomer Count; 3; (6) Exact Mass; 744.203641; (7) MonoIsotopic Mass; 744.203641; (8) Topological Polar Surface Area; 96.8; (9) Heavy Atom Count; 52; (10) Formal Charge; 0; (11) Complexity; 1210; (12) Isotope Atom Count; 0; (13) Defined Atom StereoCenter Count; 0; (14) Undefined Atom StereoCenter Count; 0; (15) Defined Bond StereoCenter Count; 0; (16) Undefined Bond StereoCenter Count; 0; (17) Covalently-Bonded Unit Count; 1.

You can still convert the following datas into molecular structure:
(1) SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)N3C4=C(C=C(C=C4)Cl)C(=C3CCNS(=O)(=O)CC5=CC=
CC=C5C(F)(F)F)CCCC6=CC=C(C=C6)C(=O)O
(2) InChI: InChI=1S/C41H36ClF3N2O4S/c42-33-22-23-37-35(26-33)34(16-9-10-28-18-20-31(21-19-28)40(48)49)38(47(37)39(29-11-3-1-4-12-29)30-13-5-2-6-14-30)24-25-46-52(50,51)27-32-15-7-8-17-36(32)41(43,44)45/h1-8,11-15,17-23,26,39,46H,9-10,16,24-25,27H2,(H,48,49)
(3) InChIKey: NHHBNHIPCSPSHQ-UHFFFAOYSA-N