Name: 2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide

SMILES: CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC=CC=C4C(F)(F)F

Molecular Processing

Molecular formula

C26H25F3N4O3S

Molecular weight

530.57

Exact mass

530.1599

XLogP

4.76

TPSA

99.98

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

0.231

Molar refractivity

133.79

Supplementary Information

InChIKey: RDBHKWULNZOJRH-UHFFFAOYSA-N

Synonyme

5-n-Butyl-2,4-dihydro-4-[(2'-sulfamoylbiphenyl-4-yl)methyl]-2-[2-(trifluoromethyl)phenyl]-3H-1,2,4-triazol-3-oneSCHEMBL9142943