| MolName | [(Z)-[1-amino-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethylidene]amino] N-phenylcarbamate |
| MolecularFormula | C18H19N3O3S2 |
| Smiles | N/C(/COc1ccc(C2SCCS2)cc1)=N\OC(Nc1ccccc1)=O |
| InChI | InChI=1S/C18H19N3O3S2/c19-16(21-24-18(22)20-14-4-2-1-3-5-14)12-23-15-8-6-13(7-9-15)17-25-10-11-26-17/h1-9,17H,10-12H2,(H2,19,21)(H,20,22) |
| InChIK | XJVQJTAHUYPZCI-UHFFFAOYSA-N |
| TotalMolweight | 389.499 |
| Molweight | 389.499 |
| MonoisotopicMass | 389.086782 |
| CLogP | 3.2645 |
| CLogS | -4.989 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 288.98 |
| Relative PSA | 0.36771 |
| PolarSurfaceArea | 136.54 |
| Druglikeness | -8.9109 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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1 - [(Z)-[1-amino-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethylidene]amino] N-phenylcarbamate | 2 - [(Z)-[1-amino-2-[4-(1,3-dithiolan-2-yl)phenoxy]ethylidene]amino] N-phenylcarbamate