trivial
PX-3
APP-CHMINACA RM
systemic
'N'-[(2'S')-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
PX-3
APP-CHMINACA RM
systemic
'N'-[(2'S')-1-amino-1-oxo-3-phenylpropan-2-yl]-1-(cyclohexylmethyl)indazole-3-carboxamide
Identifiers
InChIKey: DMHWDSGURMXMGE-FQEVSTJZSA-N
Formula: C24H28N4O2
CAS Registry numbers:
1185887-14-2
Descriptors
Bioavailability-related
Molecular weight: 404.22 DaPartition coefficient: 3.44
H bond donors: 3
H bond acceptors: 6
Rotatable bonds: 8
Molar refractivity: 116.90 J mol-1 K-1
Polar surface area: 90.01 Å2
Generic
Stereocenters: 1Heteroatoms: 6
Spiroatoms: 0
Bridge atoms: 0
Amide bonds: 2
Ring-related
Rings: 4Heterocycles: 1
Aromatic rings: 3
Aromatic carbocycles: 2
Aromatic heterocycles: 1
Aliphatic rings: 1
Aliphatic carbocycles: 1
Aliphatic heterocycles: 0