Name: N-[4,5-Dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]-N-methyl-3-aminobenzamide
SMILES:
CN(C(=O)c1cccc(N)c1)C1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1Molecular Processing
Molecular formula
C17H13Cl3N4O2
Molecular weight
411.68
Exact mass
410.0104
XLogP
4.05
TPSA
79
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
103.96
Supplementary Information
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