Nombre: [3,5-bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone

SMILES: CC1=C(C=C(C=C1)CC2CNCCN2C(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C

Molecular Processing

Molecular formula

C22H22F6N2O

Molecular weight

444.42

Exact mass

444.1636

XLogP

TPSA

32.34

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

0.409

Molar refractivity

103.76

Supplementary Information

InChIKey: XNGOYCGEFZMIDH-UHFFFAOYSA-N

Sinónimos

SCHEMBL8479516XNGOYCGEFZMIDH-UHFFFAOYSA-NL013033[3,5-bis(trifluoromethyl)phenyl]-[2-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]methanone