Nombre: 2-(5-amino-2-chlorophenyl)-5-n-butyl-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]-5'-ethylbiphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
SMILES:
CCCCc1nn(-c2cc(N)ccc2Cl)c(=O)n1Cc1ccc(-c2cc(CC)ccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1Molecular Processing
Molecular formula
C34H33Cl2N5O4S
Molecular weight
678.64
Exact mass
677.163
XLogP
6.66
TPSA
129.08
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
46
Rings
5
Aromatic rings
5
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.206
Molar refractivity
182.32
Supplementary Information
Obteniendo detalles…
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