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-(propan-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-(propan-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-(propan-2-yl)acetamide
Compound characteristics
| Compound ID: | E960-1125 | 
| 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-(propan-2-yl)acetamide | 
| Molecular Weight: | 443.52 | 
| Molecular Formula: | C21 H25 N5 O4 S | 
| Smiles: | CCn1c2C(N(Cc3ccc4c(c3)OCO4)C(=Nc2c(C)n1)SCC(NC(C)C)=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 1.8845 | 
| logD: | 1.8845 | 
| logSw: | -2.7313 | 
| Hydrogen bond acceptors count: | 9 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 78.271 | 
| InChI Key: | BQEHKVFECISCBJ-UHFFFAOYSA-N | 
 
				 
				