2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | 3229-2263 |
| Compound Name: | 2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C18 H15 N O5 S3 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C2/C(NC(=S)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.7249 |
| logD: | 1.3737 |
| logSw: | -3.4531 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.379 |
| InChI Key: | DSHGGRRHDCDVMV-UHFFFAOYSA-N |