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Home > Pyridines > 332053-63-1
332053-63-1 | 2-(4-Benzo[1,3]dioxol-5-yl-3-cyano-6-phenyl-pyridin-2-ylsulfanyl)-N-phenyl-acetamide
CAS No: 332053-63-1 Catalog No: AG01EV1L MDL No:
Product Description
Catalog Number:
AG01EV1L
Chemical Name:
2-(4-Benzo[1,3]dioxol-5-yl-3-cyano-6-phenyl-pyridin-2-ylsulfanyl)-N-phenyl-acetamide
CAS Number:
332053-63-1
Molecular Formula:
C27H19N3O3S
Molecular Weight:
465.5231
IUPAC Name:
2-[4-(1,3-benzodioxol-5-yl)-3-cyano-6-phenylpyridin-2-yl]sulfanyl-N-phenylacetamide
InChI:
InChI=1S/C27H19N3O3S/c28-15-22-21(19-11-12-24-25(13-19)33-17-32-24)14-23(18-7-3-1-4-8-18)30-27(22)34-16-26(31)29-20-9-5-2-6-10-20/h1-14H,16-17H2,(H,29,31)
InChI Key:
NMEOXGDLHFEOIM-UHFFFAOYSA-N
SMILES:
N#Cc1c(SCC(=O)Nc2ccccc2)nc(cc1c1ccc2c(c1)OCO2)c1ccccc1
Properties
Complexity:
730
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.115g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
465.527g/mol
Monoisotopic Mass:
465.115g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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