| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide |
| MolecularFormula | C18H13N3OCl2S2 |
| Smiles | O=C(CSc1nc(-c(cc2)ccc2Cl)cs1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C18H13Cl2N3OS2/c19-14-7-5-12(6-8-14)16-10-25-18(22-16)26-11-17(24)23-21-9-13-3-1-2-4-15(13)20/h1-10H,11H2,(H,23,24) |
| InChIK | YHTRYRBLEOJKSV-UHFFFAOYSA-N |
| TotalMolweight | 422.359 |
| Molweight | 422.359 |
| MonoisotopicMass | 420.987706 |
| CLogP | 5.7014 |
| CLogS | -7.115 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 303.54 |
| Relative PSA | 0.27947 |
| PolarSurfaceArea | 107.89 |
| Druglikeness | 5.795 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide