N'-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)benzenecarboximidamide
Formula:C25H20N2O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)benzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(benzenesulfonyl)-N-(2-phenylsulfanylphenyl)benzenecarboximidamide |
| MolecularFormula | C25H20N2O2S2 |
| Smiles | O=S(c1ccccc1)(/N=C(\c1ccccc1)/Nc(cccc1)c1Sc1ccccc1)=O |
| InChI | InChI=1S/C25H20N2O2S2/c28-31(29,22-16-8-3-9-17-22)27-25(20-12-4-1-5-13-20)26-23-18-10-11-19-24(23)30-21-14-6-2-7-15-21/h1-19H,(H,26,27) |
| InChIK | KWXSYEXLIUYYFC-UHFFFAOYSA-N |
| TotalMolweight | 444.578 |
| Molweight | 444.578 |
| MonoisotopicMass | 444.096618 |
| CLogP | 5.8308 |
| CLogS | -6.006 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 333.04 |
| Relative PSA | 0.2073 |
| PolarSurfaceArea | 92.21 |
| Druglikeness | -4.9093 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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