ethyl 4-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
Chemical Structure Depiction of
ethyl 4-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
ethyl 4-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
Compound characteristics
| Compound ID: | K286-3487 |
| Compound Name: | ethyl 4-{[3-(4-ethoxyphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 465.57 |
| Molecular Formula: | C19 H19 N3 O5 S3 |
| Smiles: | CCOC(CC(CSC1NC(C2=C(N=1)N(C(=S)S2)c1ccc(cc1)OCC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4532 |
| logD: | 2.4516 |
| logSw: | -2.7345 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.605 |
| InChI Key: | CZARHPMRGQWROL-UHFFFAOYSA-N |