N-(5-chloro-2-methylphenyl)-2-{2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-{2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
N-(5-chloro-2-methylphenyl)-2-{2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
Compound characteristics
| Compound ID: | C200-8072 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-{2-ethyl-6-[(4-fluorophenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide |
| Molecular Weight: | 469.9 |
| Molecular Formula: | C23 H21 Cl F N5 O3 |
| Smiles: | CCn1cc2c(C(N(Cc3ccc(cc3)F)C(N2CC(Nc2cc(ccc2C)[Cl])=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.2727 |
| logD: | 3.2724 |
| logSw: | -3.4479 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.857 |
| InChI Key: | FSBGXXYYFGDQDX-UHFFFAOYSA-N |