AC1MSEKB

N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-chloro-3-nitrobenzamide

Also Known As: Oprea1_469992|AB00164558-07|AB00164558-09|SR-01000569940-1|F0541-0058|N-{2-tert-butyl-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl}-4-chloro-3-nitrobenzamide|N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-4-chloro-3-nitrobenzamide|N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-4-chloro-3-nitrobenzamide|4-CHLORO-N-[2-(2-METHYL-2-PROPANYL)-5,5-DIOXIDO-2,6-DIHYDRO-4H-THIENO[3,4-C]PYRAZOL-3-YL]-3-NITROBENZAMIDE|N-(2-tert-butyl-5,5-dioxido-2,6-dihydro-4H-thieno[3,4-c]pyrazol-3-yl)-4-chloro-3-nitrobenzamide

Molecular Formula	C16H17ClN4O5S
Molecular Weight	412.06082 g/mol
LogP	2.8804
Topological Polar Surface Area	124.2 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	412.06082
Monoisotopic Mass	412.06082
Heavy Atoms	27
Complexity	1069.2103

Chemical Identifiers

CAS Number	449784-39-8
SMILES	CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]