| MolName | (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-piperidin-1-yl-1,3-thiazol-4-one |
| MolecularFormula | C23H20N3O2FS |
| Smiles | O=C1N(Cc(cccc2)c2F)c(cccc2)c2/C1=C1/SC(N2CCCCC2)=NC1=O |
| InChI | InChI=1S/C23H20FN3O2S/c24-17-10-4-2-8-15(17)14-27-18-11-5-3-9-16(18)19(22(27)29)20-21(28)25-23(30-20)26-12-6-1-7-13-26/h2-5,8-11H,1,6-7,12-14H2 |
| InChIK | MBCBCMAOYKUVMK-UHFFFAOYSA-N |
| TotalMolweight | 421.495 |
| Molweight | 421.495 |
| MonoisotopicMass | 421.126025 |
| CLogP | 3.0253 |
| CLogS | -5.029 |
| H Acceptors | 5 |
| TotalSurfaceArea | 300.91 |
| Relative PSA | 0.20664 |
| PolarSurfaceArea | 78.28 |
| Druglikeness | 2.2691 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-piperidin-1-yl-1,3-thiazol-4-one | 2 - (5Z)-5-[1-[(2-fluorophenyl)methyl]-2-oxoindol-3-ylidene]-2-piperidin-1-yl-1,3-thiazol-4-one