N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide
Compound characteristics
| Compound ID: | L681-0296 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{6-[(4-fluorophenyl)methyl]-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamide |
| Molecular Weight: | 465.44 |
| Molecular Formula: | C23 H20 F N5 O5 |
| Smiles: | Cn1cc2c(C(N(Cc3ccc(cc3)F)C(N2CC(Nc2ccc3c(c2)OCCO3)=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.3808 |
| logD: | 1.3808 |
| logSw: | -2.2283 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.686 |
| InChI Key: | JUHBJLRTMIYUAW-UHFFFAOYSA-N |