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Home > Pyridines > 332040-74-1
332040-74-1 | 2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-3-methyl-butyric acid
CAS No: 332040-74-1 Catalog No: AG01EV12 MDL No:
Product Description
Catalog Number:
AG01EV12
Chemical Name:
2-(3-Cyano-4,6-diphenyl-pyridin-2-ylsulfanyl)-3-methyl-butyric acid
CAS Number:
332040-74-1
Molecular Formula:
C23H20N2O2S
Molecular Weight:
388.4821
IUPAC Name:
2-(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl-3-methylbutanoic acid
InChI:
InChI=1S/C23H20N2O2S/c1-15(2)21(23(26)27)28-22-19(14-24)18(16-9-5-3-6-10-16)13-20(25-22)17-11-7-4-8-12-17/h3-13,15,21H,1-2H3,(H,26,27)
InChI Key:
SFXNLOPHCQYBNS-UHFFFAOYSA-N
SMILES:
N#Cc1c(SC(C(=O)O)C(C)C)nc(cc1c1ccccc1)c1ccccc1
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.125g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.485g/mol
Monoisotopic Mass:
388.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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