2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | C200-0571 |
| Compound Name: | 2-(3-benzyl-2,4-dioxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-1(2H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 533.65 |
| Molecular Formula: | C29 H31 N3 O5 S |
| Smiles: | COc1ccc(CCNC(CN2C(N(Cc3ccccc3)C(c3c4CCCCc4sc23)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.0322 |
| logD: | 4.0322 |
| logSw: | -4.3682 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.213 |
| InChI Key: | PZZRILBWSBPTDY-UHFFFAOYSA-N |