benzyl {3-[4-(benzylamino)-4-oxobutyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetate
Chemical Structure Depiction of
benzyl {3-[4-(benzylamino)-4-oxobutyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetate
benzyl {3-[4-(benzylamino)-4-oxobutyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetate
Compound characteristics
| Compound ID: | C241-2119 |
| Compound Name: | benzyl {3-[4-(benzylamino)-4-oxobutyl]-2,4-dioxo-3,4-dihydrothieno[3,2-d]pyrimidin-1(2H)-yl}acetate |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C26 H25 N3 O5 S |
| Smiles: | C(CC(NCc1ccccc1)=O)CN1C(c2c(ccs2)N(CC(=O)OCc2ccccc2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2583 |
| logD: | 3.2583 |
| logSw: | -3.3843 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.269 |
| InChI Key: | VQKDSZSTKGOUFK-UHFFFAOYSA-N |