ethyl 4-(2-{[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
ethyl 4-(2-{[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
ethyl 4-(2-{[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | K286-3633 |
| Compound Name: | ethyl 4-(2-{[3-(4-ethylphenyl)-6-(2-methylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 616.78 |
| Molecular Formula: | C31 H28 N4 O4 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(N(C(=N2)SCC(Nc2ccc(cc2)C(=O)OCC)=O)c2ccccc2C)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 6.8678 |
| logD: | 6.8678 |
| logSw: | -5.6785 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.557 |
| InChI Key: | JYJIGPOWIWCVDI-UHFFFAOYSA-N |