Nom: 4-(3-(2-chloro-5-((2,2,2-trifluoroacetamido)methyl)phenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-(3-(difluoromethyl)phenyl)-2-methoxybenzamide
SMILES:
COc1cc(-n2nc(-c3cc(CNC(=O)C(F)(F)F)ccc3Cl)[nH]c2=O)ccc1C(=O)Nc1cccc(C(F)F)c1Molecular Processing
Molecular formula
C26H19ClF5N5O4
Molecular weight
595.91
Exact mass
595.1046
XLogP
5.26
TPSA
118.11
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
41
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
138.44
Supplementary Information
Récupération des détails…
Impliqué dans 4 réactions→