| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide |
| MolecularFormula | C16H16N4O2Cl2S |
| Smiles | O=C(Cc1csc(N2CCOCC2)n1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C16H16Cl2N4O2S/c17-12-2-1-11(14(18)7-12)9-19-21-15(23)8-13-10-25-16(20-13)22-3-5-24-6-4-22/h1-2,7,9-10H,3-6,8H2,(H,21,23) |
| InChIK | HQSPAFFJTSFACZ-UHFFFAOYSA-N |
| TotalMolweight | 399.301 |
| Molweight | 399.301 |
| MonoisotopicMass | 398.0371 |
| CLogP | 3.76 |
| CLogS | -5.018 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 288.13 |
| Relative PSA | 0.28074 |
| PolarSurfaceArea | 95.06 |
| Druglikeness | 6.2541 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide