4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl benzoate
Chemical Structure Depiction of
4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl benzoate
4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | 3229-0702 |
| Compound Name: | 4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl benzoate |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C25 H19 N O4 S2 |
| Smiles: | COc1cc(\C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)ccc1OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3649 |
| logD: | 5.3649 |
| logSw: | -5.4553 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.537 |
| InChI Key: | SHJXNJQBXPHKGY-UHFFFAOYSA-N |