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-(butan-2-yl)acetamide
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-(butan-2-yl)acetamide
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-(butan-2-yl)acetamide
Compound characteristics
| Compound ID: | E960-1127 |
| 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-(butan-2-yl)acetamide |
| Molecular Weight: | 457.55 |
| Molecular Formula: | C22 H27 N5 O4 S |
| Smiles: | CCC(C)NC(CSC1=Nc2c(C)nn(CC)c2C(N1Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2721 |
| logD: | 2.2721 |
| logSw: | -2.8954 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.738 |
| InChI Key: | QWEQERGKNNGJPO-ZDUSSCGKSA-N |