2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-bromobenzoate
Chemical Structure Depiction of
2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-bromobenzoate
2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-bromobenzoate
Compound characteristics
| Compound ID: | 0806-0425 |
| Compound Name: | 2-methoxy-4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-bromobenzoate |
| Molecular Weight: | 450.33 |
| Molecular Formula: | C18 H12 Br N O4 S2 |
| Smiles: | COc1cc(\C=C2/C(NC(=S)S2)=O)ccc1OC(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4565 |
| logD: | 2.1054 |
| logSw: | -3.9089 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.995 |
| InChI Key: | UETYANIPUIFCRE-UHFFFAOYSA-N |