N-(4-chloro-2-fluorophenyl)-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-(4-chloro-2-fluorophenyl)-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-(4-chloro-2-fluorophenyl)-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: | E960-1270 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-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: | 475.93 |
| Molecular Formula: | C21 H19 Cl F N5 O3 S |
| Smiles: | CCn1c2C(N(Cc3ccco3)C(=Nc2c(C)n1)SCC(Nc1ccc(cc1F)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.129 |
| logD: | 3.1241 |
| logSw: | -3.5328 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.638 |
| InChI Key: | MGENWONBWAJYEU-UHFFFAOYSA-N |