(5Z)-3-(oxolan-2-ylmethyl)-5-[(4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Formula:C22H21NO3S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5Z)-3-(oxolan-2-ylmethyl)-5-[(4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | (5Z)-3-(oxolan-2-ylmethyl)-5-[(4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one |
| MolecularFormula | C22H21NO3S2 |
| Smiles | O=C(/C(/S1)=C/c(cc2)ccc2OCc2ccccc2)N(CC2OCCC2)C1=S |
| InChI | InChI=1S/C22H21NO3S2/c24-21-20(28-22(27)23(21)14-19-7-4-12-25-19)13-16-8-10-18(11-9-16)26-15-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2/t19-/m1/s1 |
| InChIK | DEUIIYCVIRICQL-LJQANCHMSA-N |
| TotalMolweight | 411.545 |
| Molweight | 411.545 |
| MonoisotopicMass | 411.096284 |
| CLogP | 3.045 |
| CLogS | -5.164 |
| H Acceptors | 4 |
| TotalSurfaceArea | 310.28 |
| Relative PSA | 0.26454 |
| PolarSurfaceArea | 96.16 |
| Druglikeness | 2.7856 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (5Z)-3-(oxolan-2-ylmethyl)-5-[(4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one | 2 - (5Z)-3-(oxolan-2-ylmethyl)-5-[(4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off