Name: (5-chloro(2-thienyl))-N-({[4-(5-chloro-1,3-dioxobenzo[c]azolin-2-yl)-3-methylphenyl]amino}thioxomethyl)carboxamide
SMILES:
Cc1cc(NC(=S)NC(=O)c2ccc(Cl)s2)ccc1N1C(=O)c2ccc(Cl)cc2C1=OMolecular Processing
Molecular formula
C21H13Cl2N3O3S2
Molecular weight
490.39
Exact mass
488.9775
XLogP
5.29
TPSA
78.51
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
31
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.048
Molar refractivity
126.79
Supplementary Information
Details werden geladen…
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