N-(4-butylphenyl)-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-(4-butylphenyl)-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-(4-butylphenyl)-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: | L681-0316 |
Compound Name: | N-(4-butylphenyl)-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: | 463.51 |
Molecular Formula: | C25 H26 F N5 O3 |
Smiles: | CCCCc1ccc(cc1)NC(CN1C(N(Cc2ccc(cc2)F)C(c2c1cn(C)n2)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.3775 |
logD: | 4.3775 |
logSw: | -4.1845 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.863 |
InChI Key: | ISYCWTRNBUJHDG-UHFFFAOYSA-N |