CC1CN(C(CN1C(=O)CCl)C)CC2=CC=C(C=C2)F
名称: 2-chloro-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
SMILES: CC1CN(C(CN1C(=O)CCl)C)CC2=CC=C(C=C2)F

Molecular Processing

Molecular formula
C15H20ClFN2O
Molecular weight
298.79
Exact mass
298.1248
XLogP
2.49
TPSA
23.55
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
78.17

Supplementary Information

InChIKey: GVCAQGXPCYYPBQ-NWDGAFQWSA-N
同義語
SCHEMBL2932864GVCAQGXPCYYPBQ-NWDGAFQWSA-N(2R, 5S)-2-Chloro-1-[4-(4-fluoro-benzyl)-2,5-dimethyl-piperazin-1-yl]-ethanone2-Chloro-1-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-ethanone2-Chloro-1-[4-(4-Fluoro-Benzyl)-(2R,5S)-2.5-Dimethyl-Piperazin-1-Yl]-Ethanone
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