Nombre: 5-n-butyl-2-(5-carboxy-2-chlorophenyl)-4-[[2'-[N-(2-chlorobenzoyl)sulfamoyl]biphenyl-4-yl]methyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
SMILES:
CCCCc1nn(-c2cc(C(=O)O)ccc2Cl)c(=O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2Cl)cc1Molecular Processing
Molecular formula
C33H28Cl2N4O6S
Molecular weight
679.58
Exact mass
678.1107
XLogP
6.22
TPSA
140.36
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
13
Covalent units
1
Fraction Csp3
0.152
Molar refractivity
175.49
Supplementary Information
Obteniendo detalles…
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