3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K292-1421 |
| Compound Name: | 3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 414.55 |
| Molecular Formula: | C20 H22 N4 O2 S2 |
| Smiles: | C(CC(N1CCN(CC1)c1ccccc1)=O)CN1C(c2c(ccs2)NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3711 |
| logD: | 2.3704 |
| logSw: | -2.7876 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.967 |
| InChI Key: | BHLIBMXYOUGAOW-UHFFFAOYSA-N |