Название: 1-(2-chlorobenzoyl)-3-[3-chloro-4-(4-chloro-1-naphthoxy)-2,5-dimethylphenyl]-S-methylisothiourea
SMILES:
CSC(=Nc1cc(C)c(Oc2ccc(Cl)c3ccccc23)c(Cl)c1C)NC(=O)c1ccccc1ClMolecular Processing
Molecular formula
C27H21Cl3N2O2S
Molecular weight
543.9
Exact mass
542.0389
XLogP
8.99
TPSA
50.69
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
35
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
149.49
Supplementary Information
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