4-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methylbenzoate
Chemical Structure Depiction of
4-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methylbenzoate
4-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methylbenzoate
Compound characteristics
| Compound ID: | Y070-0401 |
| Compound Name: | 4-{[4-oxo-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 3-methylbenzoate |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C26 H21 N O3 S2 |
| Smiles: | Cc1cccc(c1)C(=O)Oc1ccc(/C=C2/C(N(CCc3ccccc3)C(=S)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8584 |
| logD: | 5.8584 |
| logSw: | -5.6111 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 36.799 |
| InChI Key: | ILWOOFCCLJKJGX-UHFFFAOYSA-N |