AC1N9KGK

3-methyl-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide

Also Known As: 3-methyl-N-(5-(3-nitrobenzyl)thiazol-2-yl)-1-oxoisochroman-3-carboxamide|3-methyl-N-[5-(3-nitrobenzyl)-1,3-thiazol-2-yl]-1-oxo-3,4-dihydro-1H-isochromene-3-carboxamide|3-methyl-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-isochroman-3-carboxamide|(3-methyl-1-oxoisochroman-3-yl)-N-{5-[(3-nitrophenyl)methyl](1,3-thiazol-2-yl) }carboxamide|3-methyl-N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-1-oxo-4H-isochromene-3-carboxamide

Molecular Formula	C21H17N3O5S
Molecular Weight	423.0889 g/mol
LogP	3.7524
Topological Polar Surface Area	111.43 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	5
Exact Mass	423.0889
Monoisotopic Mass	423.0889
Heavy Atoms	30
Complexity	1158.8035

Chemical Identifiers

CAS Number	714243-72-8
SMILES	CC1(CC2=CC=CC=C2C(=O)O1)C(=O)NC3=NC=C(S3)CC4=CC(=CC=C4)[N+](=O)[O-]