trivial
AB-FUBINACA
systemic
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide
'N'-[(2'S')-1-Amino-3-methyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
AB-FUBINACA
systemic
N-(1-amino-3-methyl-1-oxobutan-2-yl)-1-(4-fluorobenzyl)-1H-indazole-3-carboxamide
'N'-[(2'S')-1-Amino-3-methyl-1-oxobutan-2-yl]-1-[(4-fluorophenyl)methyl]indazole-3-carboxamide
Identifiers
InChIKey: AKOOIMKXADOPDA-KRWDZBQOSA-N
Formula: C20H21FN4O2
CAS Registry numbers:
1185282-01-2
Descriptors
Bioavailability-related
Molecular weight: 368.16 DaPartition coefficient: 2.46
H bond donors: 3
H bond acceptors: 6
Rotatable bonds: 7
Molar refractivity: 100.52 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