O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Sc2ccc(Cl)cc2)nc1
Name: 1-(2,6-Dichlorobenzoyl)-3-(6-(4-chlorophenylthio)-3-pyridinyl)urea
SMILES: O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(Sc2ccc(Cl)cc2)nc1

Molecular Processing

Molecular formula
C19H12Cl3N3O2S
Molecular weight
452.75
Exact mass
450.9716
XLogP
6.15
TPSA
71.09
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0
Molar refractivity
112.76

Supplementary Information

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