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| Name |
Pafuramidine |
EINECS | N/A |
| CAS No. | 186953-56-0 | Density | 1.25 g/cm3 |
| PSA | 108.36000 | LogP | 4.54760 |
| Solubility | N/A | Melting Point |
192.5-193 °C |
| Formula | C20H20N4O3 | Boiling Point | 457.7±55.0 °C(Predicted) |
| Molecular Weight | 364.404 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2,5-Bis(4-amidinophenyl)furan-bis-O-methylamidoxime;4,4'-(2,5-Furandiyl)bis[N-methoxybenzenecarboximidamide];Pafuramidine; |
Pafuramidine Specification
The Pafuramidine, with the CAS registry number 186953-56-0, has the IUPAC name of N'-methoxy-4-[5-[4-[(Z)-N'-methoxycarbamimidoyl]phenyl]furan-2-yl]benzenecarboximidamide. It is also called UNII-H1VG379J2X. And the molecular formula of the chemical is C20H20N4O3.
The characteristics of this chemical are as followings: (1)XLogP3-AA 3.2 ; (2)H-Bond Donor 2; (3)H-Bond Acceptor 7; (4)Rotatable Bond Count 6; (5)Tautomer Count 3; (6)Exact Mass 364.153541; (7)MonoIsotopic Mass 364.153541; (8)Topological Polar Surface Area 108; (9)Heavy Atom Count 27; (10)Formal Charge 0; (11)Complexity 477; (12)Isotope Atom Count 0; (13)Defined Atom StereoCenter Count 0; (14)Undefined Atom StereoCenter Count 0; (15)Defined Bond StereoCenter Count 2; (16)Undefined Bond StereoCenter Count 0; (17)Covalently-Bonded Unit Count 1.
Addtionally, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CON=C(C1=CC=C(C=C1)C2=CC=C(O2)C3=CC=C(C=C3)C(=NOC)N)N
(2)InChI: InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)
(3)InChIKey: UKOQVLAXCBRRGH-UHFFFAOYSA-N
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