N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-[(2,6-diethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-[(2,6-diethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamide
N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-[(2,6-diethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y502-5142 |
| Compound Name: | N-(1-benzyl-4-chloro-1H-pyrazol-3-yl)-2-[(2,6-diethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 471.97 |
| Molecular Formula: | C21 H22 Cl N7 O2 S |
| Smiles: | CCN1C(=Nc2cn(CC)nc2C1=O)SCC(Nc1c(cn(Cc2ccccc2)n1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3305 |
| logD: | 2.3004 |
| logSw: | -3.1681 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.977 |
| InChI Key: | WJAUBWIMRVMZIC-UHFFFAOYSA-N |