名称: 2-chloro-N-((1R)-1-(2,4-dichlorophenyl)ethyl)-5-(1-((3S)-3-piperidyl)-3,6-dihydro-2H-pyridin-4-yl)aniline
SMILES:
C[C@@H](Nc1cc(C2=CCN([C@H]3CCCNC3)CC2)ccc1Cl)c1ccc(Cl)cc1ClMolecular Processing
Molecular formula
C24H28Cl3N3
Molecular weight
464.87
Exact mass
463.1349
XLogP
6.66
TPSA
27.3
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
30
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
130.01
Supplementary Information
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