3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzoate
Chemical Structure Depiction of
3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzoate
3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzoate
Compound characteristics
| Compound ID: | 1464-0223 |
| Compound Name: | 3-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl benzoate |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C17 H11 N O3 S2 |
| Smiles: | C(=C1/C(NC(=S)S1)=O)/c1cccc(c1)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.55 |
| logD: | 1.1989 |
| logSw: | -3.0518 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.278 |
| InChI Key: | NVCYPDIMHXGUSQ-UHFFFAOYSA-N |