methyl 2-{2-[2,4-dioxo-3-(2-phenylethyl)-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-[2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
methyl 2-{2-[2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | C258-0602 |
| Compound Name: | methyl 2-{2-[2,4-dioxo-3-(2-phenylethyl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamido}benzoate |
| Molecular Weight: | 517.6 |
| Molecular Formula: | C28 H27 N3 O5 S |
| Smiles: | COC(c1ccccc1NC(CN1C(N(CCc2ccccc2)C(c2c3CCCCc3sc12)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0414 |
| logD: | 5.0311 |
| logSw: | -4.7361 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.243 |
| InChI Key: | UZSRPBQJDJOUTE-UHFFFAOYSA-N |