N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | C200-1054 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl]acetamide |
| Molecular Weight: | 523.65 |
| Molecular Formula: | C28 H33 N3 O5 S |
| Smiles: | COc1ccc(c(c1)OC)N1C(c2c3CCCCc3sc2N(CC(NCCC2CCCCC=2)=O)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3885 |
| logD: | 4.3885 |
| logSw: | -4.5031 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.406 |
| InChI Key: | MPEHKINVGBIGMB-UHFFFAOYSA-N |