| MolName | 4-hydroxy-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide |
| MolecularFormula | C21H20N4O3S |
| Smiles | Oc(cc1)ccc1C(N/N=C\c1c(-c2ccccc2)nc(N2CCOCC2)s1)=O |
| InChI | InChI=1S/C21H20N4O3S/c26-17-8-6-16(7-9-17)20(27)24-22-14-18-19(15-4-2-1-3-5-15)23-21(29-18)25-10-12-28-13-11-25/h1-9,14,26H,10-13H2,(H,24,27) |
| InChIK | AAMLNGFXXMFRGH-UHFFFAOYSA-N |
| TotalMolweight | 408.481 |
| Molweight | 408.481 |
| MonoisotopicMass | 408.125611 |
| CLogP | 3.9826 |
| CLogS | -5.149 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 309.64 |
| Relative PSA | 0.30355 |
| PolarSurfaceArea | 115.29 |
| Druglikeness | 6.1576 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 6 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 4-hydroxy-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide | 2 - 4-hydroxy-N-[(Z)-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)methylideneamino]benzamide