Name: 2-[4-[4,4-bis(4-fluorophenyl)butyl]-2-(hydroxymethyl)piperazin-1-yl]-N-(2,6-dimethyl-4-nitrophenyl)acetamide

SMILES: CC1=CC(=CC(=C1NC(=O)CN2CCN(CC2CO)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)C)[N+](=O)[O-]

Molecular Processing

Molecular formula

C31H36F2N4O4

Molecular weight

566.65

Exact mass

566.2705

XLogP

5.02

TPSA

98.95

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

0.387

Molar refractivity

153.96

Supplementary Information

InChIKey: JFTKQYCHZKVSFR-UHFFFAOYSA-N

Synonyme

SCHEMBL10680758JFTKQYCHZKVSFR-UHFFFAOYSA-N4-[4,4-bis(4-fluorophenyl)butyl]-N-(2,6-dimethyl-4-nitrophenyl)-2-(hydroxymethyl)-1-piperazineacetamide