2-bromo-6-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate
Chemical Structure Depiction of
2-bromo-6-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate
2-bromo-6-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate
Compound characteristics
| Compound ID: | 8006-4817 |
| Compound Name: | 2-bromo-6-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl acetate |
| Molecular Weight: | 388.26 |
| Molecular Formula: | C13 H10 Br N O4 S2 |
| Smiles: | CC(=O)Oc1c(cc(/C=C2/C(NC(=S)S2)=O)cc1[Br])OC |
| Stereo: | ACHIRAL |
| logP: | 1.8132 |
| logD: | 0.462 |
| logSw: | -2.4252 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.455 |
| InChI Key: | VEMCSQICESSMHI-UHFFFAOYSA-N |