3-(4-ethylphenyl)-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-(4-ethylphenyl)-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-(4-ethylphenyl)-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: | K286-3441 |
| Compound Name: | 3-(4-ethylphenyl)-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: | 432.58 |
| Molecular Formula: | C19 H20 N4 O2 S3 |
| Smiles: | CCc1ccc(cc1)N1C2=C(C(NC(=N2)SCC(N2CCCC2)=O)=O)SC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.2605 |
| logD: | 3.2589 |
| logSw: | -3.4167 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.055 |
| InChI Key: | AIKBXJRKEUSPQX-UHFFFAOYSA-N |