N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | C200-6001 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-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: | 493.49 |
| Molecular Formula: | C25 H24 F N5 O5 |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(N(CC(Nc3ccc4c(c3)OCCO4)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9222 |
| logD: | 1.9222 |
| logSw: | -2.7301 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.316 |
| InChI Key: | ORPJWSFCNFUPPW-UHFFFAOYSA-N |