ethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
ethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate
Compound characteristics
| Compound ID: | K286-3224 |
| Compound Name: | ethyl 4-{5-[(2-ethoxy-2-oxoethyl)sulfanyl]-6-(4-fluorophenyl)-7-oxo-2-sulfanylidene-6,7-dihydro[1,3]thiazolo[4,5-d]pyrimidin-3(2H)-yl}benzoate |
| Molecular Weight: | 545.63 |
| Molecular Formula: | C24 H20 F N3 O5 S3 |
| Smiles: | CCOC(CSC1=NC2=C(C(N1c1ccc(cc1)F)=O)SC(N2c1ccc(cc1)C(=O)OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7492 |
| logD: | 4.7492 |
| logSw: | -4.445 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 68.138 |
| InChI Key: | LYBIARIWOVGUED-UHFFFAOYSA-N |