AC1Q2PHV

[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone

Also Known As: Oprea1_272383|1-(4-{3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazole-1-carbonyl}-2-nitrophenyl)piperidine|F0755-0122|(3,5-dimethyl-4-((4-nitrophenyl)thio)-1H-pyrazol-1-yl)(3-nitro-4-(piperidin-1-yl)phenyl)methanone|[3,5-dimethyl-4-(4-nitrophenyl)sulfanylpyrazol-1-yl]-(3-nitro-4-piperidin-1-ylphenyl)methanone|1-[4-({3,5-dimethyl-4-[(4-nitrophenyl)thio]-1H-pyrazol-1-yl}carbonyl)-2-nitrophenyl]piperidine|[3,5-dimethyl-4-(4-nitrophenyl)sulfanyl-pyrazol-1-yl]-[3-nitro-4-(1-piperidyl)phenyl]methanone|1-[4-({3,5-dimethyl-4-[(4-nitrophenyl)sulfanyl]-1H-pyrazol-1-yl}carbonyl)-2-nitrophenyl]piperidine

Molecular Formula	C23H23N5O5S
Molecular Weight	481.142 g/mol
LogP	5.14634
Topological Polar Surface Area	124.41 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	481.142
Monoisotopic Mass	481.142
Heavy Atoms	34
Complexity	1265.5004

Chemical Identifiers

CAS Number	304645-45-2
SMILES	CC1=C(C(=NN1C(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-])C)SC4=CC=C(C=C4)[N+](=O)[O-]