Name: 2-chloro-1-[4-(4-chloro-2-fluoro-5-methoxyphenyl)-2-methylpiperazin-1-yl]ethanone
SMILES:
CC1CN(CCN1C(=O)CCl)C2=CC(=C(C=C2F)Cl)OCMolecular Processing
Molecular formula
C14H17Cl2FN2O2
Molecular weight
335.21
Exact mass
334.0651
XLogP
2.76
TPSA
32.78
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
82.07
Supplementary Information
InChIKey: BDNURJTXMJWTNP-UHFFFAOYSA-N
Synonyme
SCHEMBL1639550BDNURJTXMJWTNP-UHFFFAOYSA-N2-Chloro-1-[4-(4-chloro-2-fluoro-5-methoxy-phenyl)-2-methyl-piperazin-1-yl]-ethanone
An 8 Reaktionen beteiligt→