3-(3,4-dimethylphenyl)-6-(4-ethoxyphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Chemical Structure Depiction of
3-(3,4-dimethylphenyl)-6-(4-ethoxyphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
3-(3,4-dimethylphenyl)-6-(4-ethoxyphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one
Compound characteristics
| Compound ID: | K286-1207 |
| Compound Name: | 3-(3,4-dimethylphenyl)-6-(4-ethoxyphenyl)-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-2-sulfanylidene-2,3-dihydro[1,3]thiazolo[4,5-d]pyrimidin-7(6H)-one |
| Molecular Weight: | 552.74 |
| Molecular Formula: | C27 H28 N4 O3 S3 |
| Smiles: | CCOc1ccc(cc1)N1C(=NC2=C(C1=O)SC(N2c1ccc(C)c(C)c1)=S)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.453 |
| logD: | 5.453 |
| logSw: | -5.2514 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 50.837 |
| InChI Key: | BLMDPGPQOJLXHY-UHFFFAOYSA-N |