Name: (2-chloro-5-methylsulfonylphenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILES:
CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3)CC2)c1Molecular Processing
Molecular formula
C19H18ClF3N2O3S
Molecular weight
446.88
Exact mass
446.0679
XLogP
3.72
TPSA
57.69
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.316
Molar refractivity
104.12
Supplementary Information
InChIKey: SUQRAINGVRCDRM-UHFFFAOYSA-N
Synonyme
(2-Chloro-5-methanesulfonyl-phenyl)-[4-(4-trifluoromethyl-phenyl)-piperazin-1-yl]-methanoneSCHEMBL3921253
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