2-(6-benzyl-2-ethyl-5,7-dioxo-2,5,6,7-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-2-ethyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
2-(6-benzyl-2-ethyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Compound characteristics
| Compound ID: | L681-0136 |
| Compound Name: | 2-(6-benzyl-2-ethyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide |
| Molecular Weight: | 461.48 |
| Molecular Formula: | C24 H23 N5 O5 |
| Smiles: | CCn1cc2c(C(N(Cc3ccccc3)C(N2CC(Nc2ccc3c(c2)OCCO3)=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.759 |
| logD: | 1.759 |
| logSw: | -2.3717 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.379 |
| InChI Key: | GFVBNOZSSMXJGA-UHFFFAOYSA-N |