trivial
ADB-FUBINACA
systemic
N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]-1H-indazole-3-carboxamide
'N'-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1'H'-indazole-3-carboxamide
ADB-FUBINACA
systemic
N-[(1S)-1-(aminocarbonyl)-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]-1H-indazole-3-carboxamide
'N'-(1-Amino-3,3-dimethyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1'H'-indazole-3-carboxamide
Identifiers
InChIKey: ZSSGCSINPVBLQD-UHFFFAOYSA-N
Formula: C21H23FN4O2
CAS Registry numbers:
1445583-51-6
Descriptors
Bioavailability-related
Molecular weight: 382.18 DaPartition coefficient: 2.85
H bond donors: 3
H bond acceptors: 6
Rotatable bonds: 7
Molar refractivity: 105.14 J mol-1 K-1
Polar surface area: 90.01 Å2
Generic
Stereocenters: 1Heteroatoms: 7
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 2
Ring-related
Rings: 3Heterocycles: 1
Aromatic rings: 3
Aromatic carbocycles: 2
Aromatic heterocycles: 1
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0