4-{[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenyl benzoate
Chemical Structure Depiction of
4-{[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenyl benzoate
4-{[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenyl benzoate
Compound characteristics
| Compound ID: | 3229-0374 |
| Compound Name: | 4-{[3-(3-chlorophenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenyl benzoate |
| Molecular Weight: | 496 |
| Molecular Formula: | C25 H18 Cl N O4 S2 |
| Smiles: | CCOc1cc(\C=C2/C(N(C(=S)S2)c2cccc(c2)[Cl])=O)ccc1OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6868 |
| logD: | 5.6868 |
| logSw: | -6.0512 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 43.506 |
| InChI Key: | KDTQALNWJJTLJT-UHFFFAOYSA-N |