4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl benzoate
Chemical Structure Depiction of
4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl benzoate
4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl benzoate
Compound characteristics
| Compound ID: | 3229-0700 |
| Compound Name: | 4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenyl benzoate |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C26 H21 N O4 S2 |
| Smiles: | CCOc1cc(\C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)ccc1OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5105 |
| logD: | 5.5105 |
| logSw: | -5.4651 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.117 |
| InChI Key: | KTPDRHHEFZGKKU-UHFFFAOYSA-N |