1-[(Z)-N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-3-phenylthiourea
Formula:C21H19N3O2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(Z)-N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-3-phenylthiourea is a drug-like molecule.
| MolName | 1-[(Z)-N-(benzenesulfonylmethyl)-C-phenylcarbonimidoyl]-3-phenylthiourea |
| MolecularFormula | C21H19N3O2S2 |
| Smiles | O=S(C/N=C(/c1ccccc1)\NC(Nc1ccccc1)=S)(c1ccccc1)=O |
| InChI | InChI=1S/C21H19N3O2S2/c25-28(26,19-14-8-3-9-15-19)16-22-20(17-10-4-1-5-11-17)24-21(27)23-18-12-6-2-7-13-18/h1-15H,16H2,(H2,22,23,24,27) |
| InChIK | AFJFQZDRBQNZGK-UHFFFAOYSA-N |
| TotalMolweight | 409.533 |
| Molweight | 409.533 |
| MonoisotopicMass | 409.091867 |
| CLogP | 3.5377 |
| CLogS | -5.878 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 313.72 |
| Relative PSA | 0.2901 |
| PolarSurfaceArea | 111.03 |
| Druglikeness | -8.1662 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | thio-amide/urea |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 7 |
| BasicNitrogens | 1 |
| StereoCon |
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