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303162-58-5 | Benzamide, N-[4-[2-(benzoylamino)-4-(4-methoxyphenyl)-5-thiazolyl]-2-pyridinyl]-
CAS No: 303162-58-5 Catalog No: AG002ZP5 MDL No:
Product Description
Catalog Number:
AG002ZP5
Chemical Name:
Benzamide, N-[4-[2-(benzoylamino)-4-(4-methoxyphenyl)-5-thiazolyl]-2-pyridinyl]-
CAS Number:
303162-58-5
Molecular Formula:
C29H22N4O3S
Molecular Weight:
506.5750
IUPAC Name:
N-[4-[2-benzamido-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]benzamide
InChI:
InChI=1S/C29H22N4O3S/c1-36-23-14-12-19(13-15-23)25-26(37-29(32-25)33-28(35)21-10-6-3-7-11-21)22-16-17-30-24(18-22)31-27(34)20-8-4-2-5-9-20/h2-18H,1H3,(H,30,31,34)(H,32,33,35)
InChI Key:
CVTVUIZIFZNOMV-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1nc(sc1c1ccnc(c1)NC(=O)c1ccccc1)NC(=O)c1ccccc1
Properties
Complexity:
749
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
506.141g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
506.58g/mol
Monoisotopic Mass:
506.141g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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