CC1=CC2=C(C=C1OC)NC3=C(C(=NN3CC=C)C)N=C2C4=CC=CC=C4Cl
Nom: 5-(2-chlorophenyl)-8-methoxy-3,7-dimethyl-1-prop-2-enyl-10H-pyrazolo[5,4-b][1,4]benzodiazepine
SMILES: CC1=CC2=C(C=C1OC)NC3=C(C(=NN3CC=C)C)N=C2C4=CC=CC=C4Cl

Molecular Processing

Molecular formula
C22H21ClN4O
Molecular weight
392.89
Exact mass
392.1404
XLogP
5.57
TPSA
51.44
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
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
0.182
Molar refractivity
114.93

Supplementary Information

InChIKey: AEXFCRKVHPHPEK-UHFFFAOYSA-N
Synonymes
SCHEMBL3821687XYJJKSQEDIHIJM-UHFFFAOYSA-N5-(2-chlorophenyl)-1,2-dihydro-8-methoxy-3,7-dimethyl-1-(2-propenyl)-pyrazolo[3,4-b][1,4]benzodiazepine
Voir la source →
Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→