名称: ethyl 5-(2,4-dichloro-5-(pyridin-2-yl)benzamido)-1-phenyl-1H-pyrazole-3-carboxylate
SMILES:
CCOC(=O)c1cc(NC(=O)c2cc(-c3ccccn3)c(Cl)cc2Cl)n(-c2ccccc2)n1Molecular Processing
Molecular formula
C24H18Cl2N4O3
Molecular weight
481.34
Exact mass
480.0756
XLogP
5.67
TPSA
86.11
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
33
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
127.17
Supplementary Information
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