1-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-phenylthiourea
Formula:C20H17N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-phenylthiourea is a drug-like molecule.
| MolName | 1-[(E)-N-(benzenesulfonyl)-C-phenylcarbonimidoyl]-3-phenylthiourea |
| MolecularFormula | C20H17N3O2S2 |
| Smiles | O=S(c1ccccc1)(/N=C(\c1ccccc1)/NC(Nc1ccccc1)=S)=O |
| InChI | InChI=1S/C20H17N3O2S2/c24-27(25,18-14-8-3-9-15-18)23-19(16-10-4-1-5-11-16)22-20(26)21-17-12-6-2-7-13-17/h1-15H,(H2,21,22,23,26) |
| InChIK | DNJTZVGNLWHZAQ-UHFFFAOYSA-N |
| TotalMolweight | 395.506 |
| Molweight | 395.506 |
| MonoisotopicMass | 395.076217 |
| CLogP | 4.1921 |
| CLogS | -4.765 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 299.96 |
| Relative PSA | 0.30341 |
| PolarSurfaceArea | 111.03 |
| Druglikeness | -7.128 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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