N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamide
Compound characteristics
| Compound ID: | C200-6078 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamide |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C26 H27 N5 O5 |
| Smiles: | CCn1c2C(N(CCc3ccccc3)C(N(CC(Nc3ccc4c(c3)OCCO4)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0473 |
| logD: | 2.0473 |
| logSw: | -2.8735 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.294 |
| InChI Key: | HYEWKEKRBKBSMA-UHFFFAOYSA-N |