N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(2,6-diethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(2,6-diethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamide
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(2,6-diethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y502-5231 |
| Compound Name: | N-[3-chloro-4-(difluoromethoxy)phenyl]-2-[(2,6-diethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl)sulfanyl]acetamide |
| Molecular Weight: | 457.88 |
| Molecular Formula: | C18 H18 Cl F2 N5 O3 S |
| Smiles: | CCN1C(=Nc2cn(CC)nc2C1=O)SCC(Nc1ccc(c(c1)[Cl])OC(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7582 |
| logD: | 2.7581 |
| logSw: | -3.4374 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.747 |
| InChI Key: | PHAKRVAOWKYLQH-UHFFFAOYSA-N |