N-(4-chloro-2-fluorophenyl)-2-{1-ethyl-6-[(4-fluorophenyl)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-(4-chloro-2-fluorophenyl)-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
N-(4-chloro-2-fluorophenyl)-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
Compound characteristics
| Compound ID: | C200-6007 |
| Compound Name: | N-(4-chloro-2-fluorophenyl)-2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide |
| Molecular Weight: | 487.89 |
| Molecular Formula: | C23 H20 Cl F2 N5 O3 |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(N(CC(Nc3ccc(cc3F)[Cl])=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5715 |
| logD: | 3.5631 |
| logSw: | -3.9471 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.795 |
| InChI Key: | VJZODVNHNYGRQT-UHFFFAOYSA-N |