N-(4-chloro-2-fluorophenyl)-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-(4-chloro-2-fluorophenyl)-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-(4-chloro-2-fluorophenyl)-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: | C200-6076 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-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: | 483.93 |
| Molecular Formula: | C24 H23 Cl F N5 O3 |
| Smiles: | CCn1c2C(N(CCc3ccccc3)C(N(CC(Nc3ccc(cc3F)[Cl])=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6966 |
| logD: | 3.6882 |
| logSw: | -4.2017 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.773 |
| InChI Key: | QNWLLBNZPPAYRG-UHFFFAOYSA-N |