ethyl 4-{5-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-7-oxo-6-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-7-oxo-6-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
ethyl 4-{5-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-7-oxo-6-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-0224 |
| Compound Name: | ethyl 4-{5-[(4-ethoxy-2,4-dioxobutyl)sulfanyl]-7-oxo-6-phenyl-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate |
| Molecular Weight: | 569.68 |
| Molecular Formula: | C26 H23 N3 O6 S3 |
| Smiles: | CCOC(CC(CSC1=NC2=C(C(N1c1ccccc1)=O)SC(N2c1ccc(cc1)C(=O)OCC)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1858 |
| logD: | 4.1858 |
| logSw: | -4.1782 |
| Hydrogen bond acceptors count: | 15 |
| Polar surface area: | 80.894 |
| InChI Key: | HKBLWZBKXJCXCY-UHFFFAOYSA-N |