CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)Cl)CCl)C)CC3=CC=C(C=C3)F
CAS: 478833-52-2
الاسم: 2-[4-chloro-2-(chloromethyl)phenoxy]-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone
SMILES: CC1CN(C(CN1C(=O)COC2=C(C=C(C=C2)Cl)CCl)C)CC3=CC=C(C=C3)F

Molecular Processing

Molecular formula
C22H25Cl2FN2O2
Molecular weight
439.36
Exact mass
438.1277
XLogP
4.72
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.409
Molar refractivity
113.95

Supplementary Information

InChIKey: LABWKBGONZXDSO-JKSUJKDBSA-N
مرادفات
478833-52-22-[4-Chloro-2-(chloromethyl)phenoxy]-1-{(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl}ethan-1-oneSCHEMBL6075709DTXSID20633617LABWKBGONZXDSO-JKSUJKDBSA-N2-(4-chloro-2-chloromethyl-phenoxy)-1-[4-(4-fluoro-benzyl)-(2R,5S)-2,5-dimethyl-piperazin-1-yl]-ethanone
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