trivial
Brorphine
systemic
3-{1-[1-(4-bromophenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-one
Brorphine
systemic
3-{1-[1-(4-bromophenyl)ethyl]piperidin-4-yl}-1H-benzimidazol-2-one
Identifiers
InChIKey: CNOFBGYRMCBVLO-UHFFFAOYSA-N
Formula: C20H22BrN3O
CAS Registry numbers:
2244737-98-0
Descriptors
Bioavailability-related
Molecular weight: 399.09 DaPartition coefficient: 4.49
H bond donors: 1
H bond acceptors: 4
Rotatable bonds: 3
Molar refractivity: 104.96 J mol-1 K-1
Polar surface area: 41.03 Å2
Generic
Stereocenters: 1Heteroatoms: 5
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 4Heterocycles: 2
Aromatic rings: 3
Aromatic carbocycles: 2
Aromatic heterocycles: 1
Aliphatic rings: 1
Aliphatic carbocycles: 0
Aliphatic heterocycles: 1