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303162-94-9 | Benzenepropanamide, N-[4-[4-(3-methylphenyl)-2-[4-(methylthio)phenyl]-5-thiazolyl]-2-pyridinyl]-
CAS No: 303162-94-9 Catalog No: AG002ZPQ MDL No:
Product Description
Catalog Number:
AG002ZPQ
Chemical Name:
Benzenepropanamide, N-[4-[4-(3-methylphenyl)-2-[4-(methylthio)phenyl]-5-thiazolyl]-2-pyridinyl]-
CAS Number:
303162-94-9
Molecular Formula:
C31H27N3OS2
Molecular Weight:
521.6956
IUPAC Name:
N-[4-[4-(3-methylphenyl)-2-(4-methylthiophen-2-yl)-1,3-thiazol-5-yl]pyridin-2-yl]-3-phenylpropanamide
InChI:
InChI=1S/C29H25N3OS2/c1-19-7-6-10-22(15-19)27-28(35-29(32-27)24-16-20(2)18-34-24)23-13-14-30-25(17-23)31-26(33)12-11-21-8-4-3-5-9-21/h3-10,13-18H,11-12H2,1-2H3,(H,30,31,33)
InChI Key:
NADJKEPXYPJKCC-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)c1sc(c(n1)c1cccc(c1)C)c1ccnc(c1)NC(=O)CCc1ccccc1
Properties
Complexity:
687
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.144g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
495.659g/mol
Monoisotopic Mass:
495.144g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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