benzyl [3-(4-ethylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
Chemical Structure Depiction of
benzyl [3-(4-ethylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
benzyl [3-(4-ethylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetate
Compound characteristics
| Compound ID: | C258-0360 |
| Compound Name: | benzyl [3-(4-ethylphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | CCc1ccc(cc1)N1C(c2c3CCCCc3sc2N(CC(=O)OCc2ccccc2)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6885 |
| logD: | 5.6885 |
| logSw: | -5.3934 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.562 |
| InChI Key: | TXKJESKFFBMKOF-UHFFFAOYSA-N |