2-(6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Chemical Structure Depiction of
2-(6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-(6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | C200-6089 |
| Compound Name: | 2-(6-benzyl-1-ethyl-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 475.5 |
| Molecular Formula: | C25 H25 N5 O5 |
| Smiles: | CCn1c2C(N(Cc3ccccc3)C(N(CC(Nc3ccc4c(c3)OCCO4)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8932 |
| logD: | 1.8931 |
| logSw: | -2.668 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.316 |
| InChI Key: | MAHGPHRWTNRKLZ-UHFFFAOYSA-N |