(5Z)-3-(oxolan-2-ylmethyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C21H19NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(oxolan-2-ylmethyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(oxolan-2-ylmethyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C21H19NO3S2 |
| Smiles | O=C(/C(/S1)=C/c2cc(Oc3ccccc3)ccc2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C21H19NO3S2/c23-20-19(27-21(26)22(20)14-18-10-5-11-24-18)13-15-6-4-9-17(12-15)25-16-7-2-1-3-8-16/h1-4,6-9,12-13,18H,5,10-11,14H2/t18-/m1/s1 |
| InChIK | PIOBSHZKAIIUIZ-GOSISDBHSA-N |
| TotalMolweight | 397.518 |
| Molweight | 397.518 |
| MonoisotopicMass | 397.080634 |
| CLogP | 3.0925 |
| CLogS | -6.12 |
| H Acceptors | 4 |
| TotalSurfaceArea | 296.52 |
| Relative PSA | 0.27681 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | 2.7856 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | racemate |
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1 - (5Z)-3-(oxolan-2-ylmethyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(oxolan-2-ylmethyl)-5-[(3-phenoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
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