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352435-78-0 | 2-[4-(4-tert-Butyl-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-N-phenyl-acetamide
CAS No: 352435-78-0 Catalog No: AG01EVNW MDL No:
Product Description
Catalog Number:
AG01EVNW
Chemical Name:
2-[4-(4-tert-Butyl-phenyl)-3-cyano-6-phenyl-pyridin-2-ylsulfanyl]-N-phenyl-acetamide
CAS Number:
352435-78-0
Molecular Formula:
C30H27N3OS
Molecular Weight:
477.6199
IUPAC Name:
2-[4-(4-tert-butylphenyl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-phenylacetamide
InChI:
InChI=1S/C30H27N3OS/c1-30(2,3)23-16-14-21(15-17-23)25-18-27(22-10-6-4-7-11-22)33-29(26(25)19-31)35-20-28(34)32-24-12-8-5-9-13-24/h4-18H,20H2,1-3H3,(H,32,34)
InChI Key:
OLMLJFBXZUAUIL-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2)nc(cc1c1ccc(cc1)C(C)(C)C)c1ccccc1
Properties
Complexity:
720
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.187g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
477.626g/mol
Monoisotopic Mass:
477.187g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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