CC1=CC2=C(C=C1OC)NC3=NNC(=C3N=C2C4=CC=CC=C4Cl)C
Nom: 5-(2-chlorophenyl)-8-methoxy-3,7-dimethyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine
SMILES: CC1=CC2=C(C=C1OC)NC3=NNC(=C3N=C2C4=CC=CC=C4Cl)C

Molecular Processing

Molecular formula
C19H17ClN4O
Molecular weight
352.83
Exact mass
352.1091
XLogP
4.91
TPSA
62.3
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.158
Molar refractivity
101.09

Supplementary Information

InChIKey: BYWQJONRKNNNCN-UHFFFAOYSA-N
Synonymes
SCHEMBL3821558SCHEMBL13866268BYWQJONRKNNNCN-UHFFFAOYSA-N5-(2-chlorophenyl)-1,2-dihydro-3,7-dimethyl-8-methoxy-pyrazolo[3,4-b][1,4]benzodiazepine5-(2-chlorophenyl)-1,2-dihydro-8-methoxy-3,7-dimethyl-pyrazolo[3,4-b][1,4]benzodiazepine
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→