benzyl [5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
Chemical Structure Depiction of
benzyl [5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
benzyl [5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
Compound characteristics
| Compound ID: | C200-0918 |
| Compound Name: | benzyl [5,6-dimethyl-2,4-dioxo-3-(2-phenylethyl)-3,4-dihydrothieno[2,3-d]pyrimidin-1(2H)-yl]acetate |
| Molecular Weight: | 448.54 |
| Molecular Formula: | C25 H24 N2 O4 S |
| Smiles: | Cc1c2C(N(CCc3ccccc3)C(N(CC(=O)OCc3ccccc3)c2sc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1545 |
| logD: | 5.1545 |
| logSw: | -5.2124 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.231 |
| InChI Key: | VOVVIJWKLYMOKT-UHFFFAOYSA-N |