N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E960-1296 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-({1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C23 H23 N5 O5 S |
| Smiles: | CCn1c2C(N(Cc3ccco3)C(=Nc2c(C)n1)SCC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1016 |
| logD: | 2.1016 |
| logSw: | -2.8639 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.774 |
| InChI Key: | PDKXIDUSKZHHJE-UHFFFAOYSA-N |