Name: 2-[(2-cyanophenyl)thio]-N-[5-[(diethylamino)sulfonyl]-2-methoxyphenyl]-benzamide
SMILES:
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1Molecular Processing
Molecular formula
C25H25N3O4S2
Molecular weight
495.63
Exact mass
495.1286
XLogP
5
TPSA
99.5
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
9
Heavy atoms
34
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
0.2
Molar refractivity
132.78
Supplementary Information
Details werden geladen…
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