trivial
MDMB-CHMICA
systemic
N-[[1-(cyclohexylmethyl)-1H-indol-3-yl]carbonyl]-3-methyl-valine, methyl ester
Methyl (2'S')-2-{[1-(cyclohexylmethyl)-1'H'-indol-3-yl]formamido}-3,3-dimethylbutanoate
MDMB-CHMICA
systemic
N-[[1-(cyclohexylmethyl)-1H-indol-3-yl]carbonyl]-3-methyl-valine, methyl ester
Methyl (2'S')-2-{[1-(cyclohexylmethyl)-1'H'-indol-3-yl]formamido}-3,3-dimethylbutanoate
Identifiers
InChIKey: SRJKCVHWIDFUBO-HXUWFJFHSA-N
Formula: C23H32N2O3
CAS Registry numbers:
1971007-95-0
Descriptors
Bioavailability-related
Molecular weight: 384.24 DaPartition coefficient: 4.54
H bond donors: 1
H bond acceptors: 5
Rotatable bonds: 8
Molar refractivity: 111.24 J mol-1 K-1
Polar surface area: 60.33 Å2
Generic
Stereocenters: 1Heteroatoms: 5
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