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303162-92-7 | Benzenepropanamide, N-[4-[2-(2-chlorophenyl)-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-
CAS No: 303162-92-7 Catalog No: AG002ZPS MDL No:
Product Description
Catalog Number:
AG002ZPS
Chemical Name:
Benzenepropanamide, N-[4-[2-(2-chlorophenyl)-4-(3-methylphenyl)-5-thiazolyl]-2-pyridinyl]-
CAS Number:
303162-92-7
Molecular Formula:
C30H24ClN3OS
Molecular Weight:
510.0491
IUPAC Name:
N-[4-[2-(2-chlorophenyl)-4-(3-methylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]-3-phenylpropanamide
InChI:
InChI=1S/C30H24ClN3OS/c1-20-8-7-11-22(18-20)28-29(36-30(34-28)24-12-5-6-13-25(24)31)23-16-17-32-26(19-23)33-27(35)15-14-21-9-3-2-4-10-21/h2-13,16-19H,14-15H2,1H3,(H,32,33,35)
InChI Key:
KVTYKCVWVWIOSK-UHFFFAOYSA-N
SMILES:
O=C(Nc1nccc(c1)c1sc(nc1c1cccc(c1)C)c1ccccc1Cl)CCc1ccccc1
Properties
Complexity:
704
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.133g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
510.052g/mol
Monoisotopic Mass:
509.133g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.3
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