trivial
Isotonitazene
systemic
N,N-diethyl-2-[2-[(4-isopropoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]ethanamine
Isotonitazene
systemic
N,N-diethyl-2-[2-[(4-isopropoxyphenyl)methyl]-5-nitro-benzimidazol-1-yl]ethanamine
Identifiers
InChIKey: OIOQREYBGDAYGT-UHFFFAOYSA-N
Formula: C23H30N4O3
CAS Registry numbers:
14188-81-9
Descriptors
Bioavailability-related
Molecular weight: 410.23 DaPartition coefficient: 4.66
H bond donors: 0
H bond acceptors: 7
Rotatable bonds: 10
Molar refractivity: 119.19 J mol-1 K-1
Polar surface area: 73.43 Å2
Generic
Stereocenters: 0Heteroatoms: 7
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 0
Ring-related
Rings: 3Heterocycles: 1
Aromatic rings: 3
Aromatic carbocycles: 2
Aromatic heterocycles: 1
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0