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332127-83-0 | 2-[4-(4-tert-Butyl-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-N-o-tolyl-acetamide
CAS No: 332127-83-0 Catalog No: AG01EV3Z MDL No:
Product Description
Catalog Number:
AG01EV3Z
Chemical Name:
2-[4-(4-tert-Butyl-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-N-o-tolyl-acetamide
CAS Number:
332127-83-0
Molecular Formula:
C31H29N3OS
Molecular Weight:
491.6465
IUPAC Name:
2-[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
InChI:
InChI=1S/C31H29N3OS/c1-21-10-8-9-13-27(21)33-29(35)20-36-30-26(19-32)25(18-28(34-30)23-11-6-5-7-12-23)22-14-16-24(17-15-22)31(2,3)4/h5-18H,20H2,1-4H3,(H,33,35)
InChI Key:
RMNRFRUZHMILRO-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2C)nc(cc1c1ccc(cc1)C(C)(C)C)c1ccccc1
Properties
Complexity:
756
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.203g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
491.653g/mol
Monoisotopic Mass:
491.203g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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