trivial
Ro05-4082
systemic
5-(2-chlorophenyl)-1-methyl-7-nitro-3'H'-1,4-benzodiazepin-2-one
Ro05-4082
systemic
5-(2-chlorophenyl)-1-methyl-7-nitro-3'H'-1,4-benzodiazepin-2-one
Identifiers
InChIKey: AZVBJJDUDXZLTM-UHFFFAOYSA-N
Formula: C16H12ClN3O3
CAS Registry numbers:
5527-71-9
Descriptors
Bioavailability-related
Molecular weight: 329.06 DaPartition coefficient: 3.06
H bond donors: 0
H bond acceptors: 6
Rotatable bonds: 2
Molar refractivity: 88.46 J mol-1 K-1
Polar surface area: 75.81 Å2
Generic
Stereocenters: 0Heteroatoms: 7
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 1
Ring-related
Rings: 3Heterocycles: 1
Aromatic rings: 2
Aromatic carbocycles: 2
Aromatic heterocycles: 0
Aliphatic rings: 1
Aliphatic carbocycles: 0
Aliphatic heterocycles: 1