N-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-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-(3,5-dimethoxyphenyl)-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: | L681-0267 |
Compound Name: | N-(3,5-dimethoxyphenyl)-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: | 467.46 |
Molecular Formula: | C23 H22 F N5 O5 |
Smiles: | Cn1cc2c(C(N(Cc3ccc(cc3)F)C(N2CC(Nc2cc(cc(c2)OC)OC)=O)=O)=O)n1 |
Stereo: | ACHIRAL |
logP: | 2.5473 |
logD: | 2.5472 |
logSw: | -2.8795 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.95 |
InChI Key: | KUUMJNNBXHVKLB-UHFFFAOYSA-N |