2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-bromobenzoate
Chemical Structure Depiction of
2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-bromobenzoate
2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-bromobenzoate
Compound characteristics
| Compound ID: | 3229-0810 |
| Compound Name: | 2-methoxy-4-[(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl 3-bromobenzoate |
| Molecular Weight: | 464.35 |
| Molecular Formula: | C19 H14 Br N O4 S2 |
| Smiles: | CN1C(/C(=C\c2ccc(c(c2)OC)OC(c2cccc(c2)[Br])=O)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.263 |
| logD: | 4.263 |
| logSw: | -4.6808 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 44.575 |
| InChI Key: | RKSSGBMGIQPBAY-UHFFFAOYSA-N |