N-(3-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-(3-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-(3-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: | E961-1254 |
| Compound Name: | N-(3-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)c(c3)[Cl])=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5643 |
| logD: | 3.5641 |
| logSw: | -3.7214 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.241 |
| InChI Key: | ICOOVTCJDQPTIY-UHFFFAOYSA-N |