O-[(Z)-2-[(2-phenylacetyl)amino]ethylideneamino] N-phenylcarbamothioate
Formula:C17H17N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
O-[(Z)-2-[(2-phenylacetyl)amino]ethylideneamino] N-phenylcarbamothioate is a drug-like molecule.
| MolName | O-[(Z)-2-[(2-phenylacetyl)amino]ethylideneamino] N-phenylcarbamothioate |
| MolecularFormula | C17H17N3O2S |
| Smiles | O=C(Cc1ccccc1)NC/C=N\OC(Nc1ccccc1)=S |
| InChI | InChI=1S/C17H17N3O2S/c21-16(13-14-7-3-1-4-8-14)18-11-12-19-22-17(23)20-15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,18,21)(H,20,23) |
| InChIK | LWNKCJKTZHKYNK-UHFFFAOYSA-N |
| TotalMolweight | 327.407 |
| Molweight | 327.407 |
| MonoisotopicMass | 327.104147 |
| CLogP | 3.0796 |
| CLogS | -4.025 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 268.68 |
| Relative PSA | 0.31811 |
| PolarSurfaceArea | 94.81 |
| Druglikeness | 2.2699 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73913 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - O-[(Z)-2-[(2-phenylacetyl)amino]ethylideneamino] N-phenylcarbamothioate | 2 - O-[(Z)-2-[(2-phenylacetyl)amino]ethylideneamino] N-phenylcarbamothioate
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