2-bromo-6-methoxy-4-{[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
2-bromo-6-methoxy-4-{[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl thiophene-2-carboxylate
2-bromo-6-methoxy-4-{[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 3241-0781 |
| Compound Name: | 2-bromo-6-methoxy-4-{[3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl thiophene-2-carboxylate |
| Molecular Weight: | 546.48 |
| Molecular Formula: | C23 H16 Br N O4 S3 |
| Smiles: | Cc1ccc(cc1)N1C(/C(=C\c2cc(c(c(c2)[Br])OC(c2cccs2)=O)OC)SC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0594 |
| logD: | 6.0594 |
| logSw: | -5.5184 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 45.031 |
| InChI Key: | IOHJUPIZILKNJP-UHFFFAOYSA-N |