AC1N5NS7

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

Also Known As: Oprea1_869250|AB00164553-07|F0541-0053|SR-01000569935-1|N-(2-(tert-butyl)-5,5-dioxido-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)-5-chloro-2-nitrobenzamide|N-{2-tert-butyl-5,5-dioxo-2H,4H,6H-5lambda6-thieno[3,4-c]pyrazol-3-yl}-5-chloro-2-nitrobenzamide|N-(2-tert-butyl-5,5-dioxo-4,6-dihydrothieno[3,4-c]pyrazol-3-yl)-5-chloro-2-nitrobenzamide|3-tert-butyl-4-(5-chloro-2-nitrobenzylamino)-7-oxo-7lambda-thia-2,3-diazabicyclo[3.3.0]octa-1,4-dien-7-ium-7-olate

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	449784-29-6
SMILES	CC(C)(C)N1C(=C2CS(=O)(=O)CC2=N1)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]