5,9-Dehb

4-[(4-ethylsulfonyl-2-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-imine

Also Known As: 5,9-Dehb|KST-1A7960|5,9 alpha-Diethyl-2'-hydroxybenzomorphan|(-)-5,9alpha-Diethyl-2'-hydroxybenzomorphan|3H-Pyrazol-3-imine, 4-((4-(ethylsulfonyl)-2-nitrophenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-|(3e)-4-{(e)-[4-(ethylsulfonyl)-2-nitrophenyl]diazenyl}-5-methyl-2-phenyl-2,4-dihydro-3h-pyrazol-3-imine|3H-Pyrazol-3-imine, 4-[[4-(ethylsulfonyl)-2-nitrophenyl]azo]-2,4-dihydro-5-methyl-2-phenyl-|4-[[4-(Ethylsulfonyl)-2-nitrophenyl]azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-imine|3H-Pyrazol-3-imine, 4-(2-(4-(ethylsulfonyl)-2-nitrophenyl)diazenyl)-2,4-dihydro-5-methyl-2-phenyl-|3H-Pyrazol-3-imine, 4-[2-[4-(ethylsulfonyl)-2-nitrophenyl]diazenyl]-2,4-dihydro-5-methyl-2-phenyl-|4-[(4-ethylsulfonyl-2-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-imine|4-[[4- -2-nitrophenyl]azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-imine|3H-Pyrazol-3-imine, 4-[[4-(ethylsulfonyl)-2-nitrophenyl] azo]-2,4-dihydro-5-methyl-2-phenyl-|4-{[4-(Ethanesulfonyl)-2-nitrophenyl]diazenyl}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-imine|4-{2-[4-(ethanesulfonyl)-2-nitrophenyl]diazen-1-yl}-3-methyl-1-phenyl-4,5-dihydro-1H-pyrazol-5-imine

Molecular Formula	C18H18N6O4S
Molecular Weight	414.11102 g/mol
LogP	3.71
Topological Polar Surface Area	141.45 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	414.11102
Heavy Atoms	29
Complexity	1128.3

Chemical Identifiers

CAS Number	70833-53-3
SMILES	CCS(=O)(=O)C1=CC(=C(C=C1)N=NC2C(=NN(C2=N)C3=CC=CC=C3)C)[N+](=O)[O-]