4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl methanesulfonate
Chemical Structure Depiction of
4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl methanesulfonate
4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl methanesulfonate
Compound characteristics
| Compound ID: | 3229-1242 |
| Compound Name: | 4-[(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl methanesulfonate |
| Molecular Weight: | 435.54 |
| Molecular Formula: | C19 H17 N O5 S3 |
| Smiles: | COc1cc(\C=C2/C(N(Cc3ccccc3)C(=S)S2)=O)ccc1OS(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4227 |
| logD: | 3.4227 |
| logSw: | -3.7815 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 60.308 |
| InChI Key: | GHNMHQWZSZIWPB-UHFFFAOYSA-N |