trivial
MDMB-CHMINACA
systemic
Methyl (2'S')-2-{[1-(cyclohexylmethyl)-1'H'-indazol-3-yl]formamido}-3,3-dimethylbutanoate
MDMB-CHMINACA
systemic
Methyl (2'S')-2-{[1-(cyclohexylmethyl)-1'H'-indazol-3-yl]formamido}-3,3-dimethylbutanoate
Identifiers
InChIKey: DGQMLBSSRFFINY-LJQANCHMSA-N
Formula: C22H31N3O3
CAS Registry numbers:
1185888-32-7
Descriptors
Bioavailability-related
Molecular weight: 385.24 DaPartition coefficient: 3.93
H bond donors: 1
H bond acceptors: 6
Rotatable bonds: 8
Molar refractivity: 109.03 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: 3Heterocycles: 1
Aromatic rings: 2
Aromatic carbocycles: 1
Aromatic heterocycles: 1
Aliphatic rings: 1
Aliphatic carbocycles: 1
Aliphatic heterocycles: 0