methyl 2-{2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C258-0315 |
| Compound Name: | methyl 2-{2-[3-(3-methoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C27 H25 N3 O6 S |
| Smiles: | COC(c1ccccc1NC(CN1C(N(C(c2c3CCCCc3sc12)=O)c1cccc(c1)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.351 |
| logD: | 4.3426 |
| logSw: | -4.4973 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.197 |
| InChI Key: | TXPQDOYTYXKCDA-UHFFFAOYSA-N |