2-[4-[(Z)-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
Formula:C23H23N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[4-[(Z)-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide |
| MolecularFormula | C23H23N3O4S |
| Smiles | NC(COc1ccc(/C=C(/C(N2C[C@@H]3OCCC3)=O)\S/C2=N\c2ccccc2)cc1)=O |
| InChI | InChI=1S/C23H23N3O4S/c24-21(27)15-30-18-10-8-16(9-11-18)13-20-22(28)26(14-19-7-4-12-29-19)23(31-20)25-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H2,24,27)/t19-/m1/s1 |
| InChIK | ZNSVGYQTWKGMAU-LJQANCHMSA-N |
| TotalMolweight | 437.519 |
| Molweight | 437.519 |
| MonoisotopicMass | 437.140927 |
| CLogP | 2.1448 |
| CLogS | -4.559 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 326.81 |
| Relative PSA | 0.28732 |
| PolarSurfaceArea | 119.52 |
| Druglikeness | 3.7723 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 4 |
| Amides | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - 2-[4-[(Z)-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide | 2 - 2-[4-[(Z)-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetamide
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