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332171-11-6 | 2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N,N-dicyclohexyl-acetamide
CAS No: 332171-11-6 Catalog No: AG01EV73 MDL No:
Product Description
Catalog Number:
AG01EV73
Chemical Name:
2-(3-Cyano-4-phenyl-6-p-tolyl-pyridin-2-ylsulfanyl)-N,N-dicyclohexyl-acetamide
CAS Number:
332171-11-6
Molecular Formula:
C33H37N3OS
Molecular Weight:
523.7314
IUPAC Name:
2-[3-cyano-6-(4-methylphenyl)-4-phenylpyridin-2-yl]sulfanyl-N,N-dicyclohexylacetamide
InChI:
InChI=1S/C33H37N3OS/c1-24-17-19-26(20-18-24)31-21-29(25-11-5-2-6-12-25)30(22-34)33(35-31)38-23-32(37)36(27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2,5-6,11-12,17-21,27-28H,3-4,7-10,13-16,23H2,1H3
InChI Key:
UOCYXOUPROACSO-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc(cc1c1ccccc1)c1ccc(cc1)C
Properties
Complexity:
765
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
523.266g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
523.739g/mol
Monoisotopic Mass:
523.266g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
82.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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