N-(2-chloro-4-methylphenyl)-2-{1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-{1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
N-(2-chloro-4-methylphenyl)-2-{1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
Compound characteristics
| Compound ID: | E961-1226 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-{1-ethyl-6-[(furan-2-yl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide |
| Molecular Weight: | 455.9 |
| Molecular Formula: | C22 H22 Cl N5 O4 |
| Smiles: | CCn1c2C(N(Cc3ccco3)C(N(CC(Nc3ccc(C)cc3[Cl])=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8979 |
| logD: | 2.8977 |
| logSw: | -3.3416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.543 |
| InChI Key: | KVIDNEAZKYMCQO-UHFFFAOYSA-N |