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303162-67-6 | Benzamide, N-[4-[2-(acetylamino)-4-(3,5-dimethylphenyl)-5-thiazolyl]-2-pyridinyl]-
CAS No: 303162-67-6 Catalog No: AG002ZP0 MDL No:
Product Description
Catalog Number:
AG002ZP0
Chemical Name:
Benzamide, N-[4-[2-(acetylamino)-4-(3,5-dimethylphenyl)-5-thiazolyl]-2-pyridinyl]-
CAS Number:
303162-67-6
Molecular Formula:
C25H22N4O2S
Molecular Weight:
442.5328
IUPAC Name:
N-[4-[2-acetamido-4-(3,5-dimethylphenyl)-1,3-thiazol-5-yl]pyridin-2-yl]benzamide
InChI:
InChI=1S/C25H22N4O2S/c1-15-11-16(2)13-20(12-15)22-23(32-25(29-22)27-17(3)30)19-9-10-26-21(14-19)28-24(31)18-7-5-4-6-8-18/h4-14H,1-3H3,(H,26,28,31)(H,27,29,30)
InChI Key:
CWMWBZQBBGARDE-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1sc(c(n1)c1cc(C)cc(c1)C)c1ccnc(c1)NC(=O)c1ccccc1
Properties
Complexity:
646
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
442.146g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
442.537g/mol
Monoisotopic Mass:
442.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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