Name: [(2S)-4-[2-bromo-4-(trifluoromethyl)phenyl]sulfonyl-2-methylpiperazin-1-yl]-(6-methyl-3-pyridinyl)methanone

SMILES: CC1CN(CCN1C(=O)C2=CN=C(C=C2)C)S(=O)(=O)C3=C(C=C(C=C3)C(F)(F)F)Br

Molecular Processing

Molecular formula

C19H19BrF3N3O3S

Molecular weight

506.34

Exact mass

505.0283

XLogP

3.71

TPSA

70.58

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.368

Molar refractivity

107.38

Supplementary Information

InChIKey: SDQIBVWTMSUWDF-ZDUSSCGKSA-N

Synonyme

(2S)-4-{[2-bromo-4-(trifluoromethyl)phenyl]sulfonyl}-2-methyl-1-[(6-methyl-3-pyridinyl)carbonyl]piperazineSCHEMBL1429767