trivial
MDMB-4en-PINACA
systemic
methyl 3,3-dimethyl-2-(1-(pent-4-en-1-yl)-1H-indazole-3-carboxamido)butanoate
methyl ('S')-3,3-dimethyl-2-(1-(pent-4-en-1-yl)-1'H'-indazole-3-carboxamido)butanoate
MDMB-4en-PINACA
systemic
methyl 3,3-dimethyl-2-(1-(pent-4-en-1-yl)-1H-indazole-3-carboxamido)butanoate
methyl ('S')-3,3-dimethyl-2-(1-(pent-4-en-1-yl)-1'H'-indazole-3-carboxamido)butanoate
Identifiers
InChIKey: LWOCBHBFWNGPGM-QGZVFWFLSA-N
Formula: C20H27N3O3
CAS Registry numbers:
Descriptors
Bioavailability-related
Molecular weight: 357.21 DaPartition coefficient: 3.32
H bond donors: 1
H bond acceptors: 6
Rotatable bonds: 10
Molar refractivity: 101.89 J mol-1 K-1
Polar surface area: 73.22 Å2
Generic
Stereocenters: 1Heteroatoms: 6
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