Name: 2-[(2-cyanophenyl)thio]-N-[5-[(diethylamino)sulfonyl]-2-methylphenyl]-benzamide
SMILES:
CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)c2ccccc2Sc2ccccc2C#N)c1Molecular Processing
Molecular formula
C25H25N3O3S2
Molecular weight
479.63
Exact mass
479.1337
XLogP
5.3
TPSA
90.27
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
33
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
130.96
Supplementary Information
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Involved in 1 reactions→