(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazol-4-one
Formula:C18H22N2O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazol-4-one |
| MolecularFormula | C18H22N2O3S |
| Smiles | CCOc1ccc(/C=C2\SC(N3CC(C)OC(C)C3)=NC2=O)cc1 |
| InChI | InChI=1S/C18H22N2O3S/c1-4-22-15-7-5-14(6-8-15)9-16-17(21)19-18(24-16)20-10-12(2)23-13(3)11-20/h5-9,12-13H,4,10-11H2,1-3H3 |
| InChIK | GIDYNNPNMOCMFW-UHFFFAOYSA-N |
| TotalMolweight | 346.45 |
| Molweight | 346.45 |
| MonoisotopicMass | 346.135113 |
| CLogP | 2.5707 |
| CLogS | -3.984 |
| H Acceptors | 5 |
| TotalSurfaceArea | 262.54 |
| Relative PSA | 0.24983 |
| PolarSurfaceArea | 76.43 |
| Druglikeness | 3.6922 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 11 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazol-4-one | 2 - (5Z)-2-(2,6-dimethylmorpholin-4-yl)-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazol-4-one
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