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332909-82-7 | N-(4-Acetyl-phenyl)-2-(4-phenyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionamide
CAS No: 332909-82-7 Catalog No: AG01F32C MDL No:
Product Description
Catalog Number:
AG01F32C
Chemical Name:
N-(4-Acetyl-phenyl)-2-(4-phenyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-propionamide
CAS Number:
332909-82-7
Molecular Formula:
C24H21N5O2S
Molecular Weight:
443.5208
IUPAC Name:
N-(4-acetylphenyl)-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
InChI:
InChI=1S/C24H21N5O2S/c1-16(30)18-10-12-20(13-11-18)26-23(31)17(2)32-24-28-27-22(19-7-6-14-25-15-19)29(24)21-8-4-3-5-9-21/h3-15,17H,1-2H3,(H,26,31)
InChI Key:
JZZHVPWZTNLFJB-UHFFFAOYSA-N
SMILES:
O=C(C(Sc1nnc(n1c1ccccc1)c1cccnc1)C)Nc1ccc(cc1)C(=O)C
Properties
Complexity:
636
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.142g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
443.525g/mol
Monoisotopic Mass:
443.142g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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