2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-ethylphenyl)acetamide
Chemical Structure Depiction of
2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-ethylphenyl)acetamide
2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-ethylphenyl)acetamide
Compound characteristics
Compound ID: | L681-0188 |
Compound Name: | 2-{2-ethyl-6-[(4-methylphenyl)methyl]-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}-N-(3-ethylphenyl)acetamide |
Molecular Weight: | 445.52 |
Molecular Formula: | C25 H27 N5 O3 |
Smiles: | CCc1cccc(c1)NC(CN1C(N(Cc2ccc(C)cc2)C(c2c1cn(CC)n2)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0003 |
logD: | 4.0003 |
logSw: | -3.8876 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.555 |
InChI Key: | OBVSPIIDCVHMJZ-UHFFFAOYSA-N |