Nombre: N-[[4-chloro-3-[5-oxo-1-[4-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]phenyl]methyl]-2-methylpropane-2-sulfinamide

SMILES: CC(C)(C)S(=O)NCC1=CC(=C(C=C1)Cl)C2=NN(C(=O)N2)C3=CC=C(C=C3)C(F)(F)F

Molecular Processing

Molecular formula

C20H20ClF3N4O2S

Molecular weight

472.92

Exact mass

472.0948

XLogP

4.45

TPSA

79.78

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

0.3

Molar refractivity

114.37

Supplementary Information

InChIKey: DZYZLMNEYNTBGC-UHFFFAOYSA-N

Sinónimos

N-(4-Chloro-3-(5-oxo-1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)benzyl)-2-methylpropane-2-sulfinamideSCHEMBL15552552