3-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-5-oxopentyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
3-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-5-oxopentyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
3-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-5-oxopentyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | K292-1483 |
| Compound Name: | 3-[5-(3,4-dihydroisoquinolin-2(1H)-yl)-5-oxopentyl]-2-sulfanylidene-2,3-dihydrothieno[3,2-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 399.53 |
| Molecular Formula: | C20 H21 N3 O2 S2 |
| Smiles: | C(CCN1C(c2c(ccs2)NC1=S)=O)CC(N1CCc2ccccc2C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2075 |
| logD: | 3.2069 |
| logSw: | -3.1971 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.369 |
| InChI Key: | VNDFWVHHCJQXMH-UHFFFAOYSA-N |