ethyl 2-{[3,6-bis(2,6-dimethylphenyl)-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 2-{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate
ethyl 2-{[3,6-bis(2,6-dimethylphenyl)-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: | K286-0027 |
| Compound Name: | ethyl 2-{[3,6-bis(2,6-dimethylphenyl)-7-oxo-2-sulfanylidene-2,3,6,7-tetrahydro[1,3]thiazolo[4,5-d]pyrimidin-5-yl]sulfanyl}-3-oxobutanoate |
| Molecular Weight: | 553.72 |
| Molecular Formula: | C27 H27 N3 O4 S3 |
| Smiles: | CCOC(C(C(C)=O)SC1=NC2=C(C(N1c1c(C)cccc1C)=O)SC(N2c1c(C)cccc1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7834 |
| logD: | 5.7834 |
| logSw: | -5.4352 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 60.603 |
| InChI Key: | SCHCNKNQSYPDNW-NRFANRHFSA-N |