3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K292-1425 |
| Compound Name: | 3-[4-oxo-4-(pyrrolidin-1-yl)butyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 323.43 |
| Molecular Formula: | C14 H17 N3 O2 S2 |
| Smiles: | C1CCN(C1)C(CCCN1C(c2c(ccs2)NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5168 |
| logD: | 1.5162 |
| logSw: | -2.2508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.073 |
| InChI Key: | NLQSVUHATPJCCY-UHFFFAOYSA-N |