CCOC(=O)CCC1=C(N=CC(=C1)Cl)OCC(=O)N2CC(N(CC2C)CC3=CC=C(C=C3)F)C
이름: ethyl 3-[5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]-3-pyridinyl]propanoate
SMILES: CCOC(=O)CCC1=C(N=CC(=C1)Cl)OCC(=O)N2CC(N(CC2C)CC3=CC=C(C=C3)F)C

Molecular Processing

Molecular formula
C25H31ClFN3O4
Molecular weight
491.99
Exact mass
491.1987
XLogP
3.87
TPSA
71.97
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
34
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.48
Molar refractivity
127.14

Supplementary Information

InChIKey: FMLMNWSJLRWEBE-ZWKOTPCHSA-N
동의어
3-(5-chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy)-pyridin-3-yl)-propionic acid ethyl ester3-(5-Chloro-2-{2-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-2-oxo-ethoxy}-pyridin-3-yl)-propionic Acid Ethyl EsterSCHEMBL6077652FMLMNWSJLRWEBE-ZWKOTPCHSA-N3-(5-Chloro-2-{2-[4-(4-Fluoro-Benzyl)-(2 R,5S)-2 ,5-Dimethyl-Piperazin-1-Yl]-2-Oxo-Ethoxy}-Pyridin-3-Yl)-Propionic Acid Ethyl Ester
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