2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Chemical Structure Depiction of
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Compound characteristics
| Compound ID: | E545-0643 |
| Compound Name: | 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-3,4-dihydro[1]benzofuro[3,2-d]pyrimidin-1(2H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide |
| Molecular Weight: | 557.56 |
| Molecular Formula: | C30 H27 N3 O8 |
| Smiles: | COc1ccc(CCNC(CN2C(N(Cc3ccc4c(c3)OCO4)C(c3c2c2ccccc2o3)=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.6459 |
| logD: | 3.6459 |
| logSw: | -4.0906 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.261 |
| InChI Key: | MFQMFXLKJTVRCJ-UHFFFAOYSA-N |