ethyl 4-{[3-(4-chloro-3-methylphenyl)-6-(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-chloro-3-methylphenyl)-6-(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-chloro-3-methylphenyl)-6-(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: | K286-1774 |
| Compound Name: | ethyl 4-{[3-(4-chloro-3-methylphenyl)-6-(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: | 590.14 |
| Molecular Formula: | C26 H24 Cl N3 O5 S3 |
| Smiles: | CCOC(CC(CSC1=NC2=C(C(N1c1ccc(cc1)OCC)=O)SC(N2c1ccc(c(C)c1)[Cl])=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4504 |
| logD: | 5.4503 |
| logSw: | -5.946 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 67.264 |
| InChI Key: | QLBKVBLCOWQZJH-UHFFFAOYSA-N |