AC1NULAK

5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide

Also Known As: AK-968/40709882|5-chloro-N-[4-[(E)-C-methyl-N-[(3-methyl-4-nitrobenzoyl)amino]carbonimidoyl]phenyl]thiophene-2-carboxamide|5-chloro-N-[4-(N-{4-nitro-3-methylbenzoyl}ethanehydrazonoyl)phenyl]-2-thiophenecarboxamide|5-chloro-N-{4-[(1E)-1-{2-[(3-methyl-4-nitrophenyl)carbonyl]hydrazinylidene}ethyl]phenyl}thiophene-2-carboxamide|N-((1E)-2-{4-[(5-chloro(2-thienyl))carbonylamino]phenyl}-1-azaprop-1-enyl)(3-m ethyl-4-nitrophenyl)carboxamide

Molecular Formula	C21H17ClN4O4S
Molecular Weight	456.06592 g/mol
LogP	5.02442
Topological Polar Surface Area	113.7 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	456.06592
Monoisotopic Mass	456.06592
Heavy Atoms	31
Complexity	1188.3453

Chemical Identifiers

CAS Number	445013-81-0
SMILES	CC1=C(C=CC(=C1)C(=O)N/N=C(\C)/C2=CC=C(C=C2)NC(=O)C3=CC=C(S3)Cl)[N+](=O)[O-]