3-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)cyclohexyl]methyl}-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)cyclohexyl]methyl}-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
3-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)cyclohexyl]methyl}-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K292-1587 |
| Compound Name: | 3-{[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)cyclohexyl]methyl}-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 439.6 |
| Molecular Formula: | C23 H25 N3 O2 S2 |
| Smiles: | C1CC(CCC1CN1C(c2c(ccs2)NC1=S)=O)C(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6905 |
| logD: | 4.6898 |
| logSw: | -4.5326 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.839 |
| InChI Key: | HUKBTHSGHCOSGB-UHFFFAOYSA-N |