(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
Formula:C21H20N2O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-5-[(3-phenoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one is a drug-like molecule.
| MolName | (5Z)-5-[(3-phenoxyphenyl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one |
| MolecularFormula | C21H20N2O2S |
| Smiles | O=C1N=C(N2CCCCC2)S/C1=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H20N2O2S/c24-20-19(26-21(22-20)23-12-5-2-6-13-23)15-16-8-7-11-18(14-16)25-17-9-3-1-4-10-17/h1,3-4,7-11,14-15H,2,5-6,12-13H2 |
| InChIK | OCIRYVFJAHBFFX-UHFFFAOYSA-N |
| TotalMolweight | 364.468 |
| Molweight | 364.468 |
| MonoisotopicMass | 364.124548 |
| CLogP | 4.1446 |
| CLogS | -6.096 |
| H Acceptors | 4 |
| TotalSurfaceArea | 278.04 |
| Relative PSA | 0.19994 |
| PolarSurfaceArea | 67.2 |
| Druglikeness | 2.5417 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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