2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-benzylacetamide
Chemical Structure Depiction of
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-benzylacetamide
2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-benzylacetamide
Compound characteristics
| Compound ID: | E960-1117 |
| Compound Name: | 2-({6-[(2H-1,3-benzodioxol-5-yl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-benzylacetamide |
| Molecular Weight: | 491.57 |
| Molecular Formula: | C25 H25 N5 O4 S |
| Smiles: | CCn1c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c(C)n1)SCC(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8062 |
| logD: | 2.8062 |
| logSw: | -3.234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.025 |
| InChI Key: | FVZMYGWHGJJEJH-UHFFFAOYSA-N |