trivial
4F-MDMB-BINACA
systemic
methyl 2-(1-(4-fluorobutyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
Methyl ('S')-2-(1-(4-fluorobutyl)-1'H'-indazole-3-carboxamido)-3,3-dimethylbutanoate
4F-MDMB-BINACA
systemic
methyl 2-(1-(4-fluorobutyl)-1H-indazole-3-carboxamido)-3,3-dimethylbutanoate
Methyl ('S')-2-(1-(4-fluorobutyl)-1'H'-indazole-3-carboxamido)-3,3-dimethylbutanoate
Identifiers
InChIKey: GZGKSDAMWRWYOZ-MRXNPFEDSA-N
Formula: C19H26FN3O3
CAS Registry numbers:
Descriptors
Bioavailability-related
Molecular weight: 363.20 DaPartition coefficient: 3.10
H bond donors: 1
H bond acceptors: 6
Rotatable bonds: 10
Molar refractivity: 97.67 J mol-1 K-1
Polar surface area: 73.22 Å2
Generic
Stereocenters: 1Heteroatoms: 7
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 1
Ring-related
Rings: 2Heterocycles: 1
Aromatic rings: 2
Aromatic carbocycles: 1
Aromatic heterocycles: 1
Aliphatic rings: 0
Aliphatic carbocycles: 0
Aliphatic heterocycles: 0