名称: (S)-2-amino-3-(4-pyridin-4-yl-phenyl)-propionic acid methyl ester bis hydrochloride
SMILES:
COC(=O)[C@@H](N)Cc1ccc(-c2ccncc2)cc1.Cl.ClMolecular Processing
Molecular formula
C15H18Cl2N2O2
Molecular weight
329.23
Exact mass
328.0745
XLogP
2.64
TPSA
65.21
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
3
Fraction Csp3
0.2
Molar refractivity
87.86
Supplementary Information
詳細情報を取得中…
7 件の反応に参加→