| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide |
| MolecularFormula | C16H18N4O3S |
| Smiles | Oc1cccc(/C=N\NC(Cc2csc(N3CCOCC3)n2)=O)c1 |
| InChI | InChI=1S/C16H18N4O3S/c21-14-3-1-2-12(8-14)10-17-19-15(22)9-13-11-24-16(18-13)20-4-6-23-7-5-20/h1-3,8,10-11,21H,4-7,9H2,(H,19,22) |
| InChIK | SFIMTXZDOHOFBX-UHFFFAOYSA-N |
| TotalMolweight | 346.41 |
| Molweight | 346.41 |
| MonoisotopicMass | 346.109961 |
| CLogP | 2.2023 |
| CLogS | -3.25 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 263.64 |
| Relative PSA | 0.35651 |
| PolarSurfaceArea | 115.29 |
| Druglikeness | 6.2195 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide | 2 - N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide