N-(3-chloro-4-methylphenyl)-2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-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-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamide
N-(3-chloro-4-methylphenyl)-2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamide
Compound characteristics
| Compound ID: | E961-0962 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-[1-ethyl-3-methyl-5,7-dioxo-6-(2-phenylethyl)-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl]acetamide |
| Molecular Weight: | 479.97 |
| Molecular Formula: | C25 H26 Cl N5 O3 |
| Smiles: | CCn1c2C(N(CCc3ccccc3)C(N(CC(Nc3ccc(C)c(c3)[Cl])=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4649 |
| logD: | 4.4648 |
| logSw: | -4.5066 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.471 |
| InChI Key: | QQNPYEGQUIWRCK-UHFFFAOYSA-N |