[9-(4-butylphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
Chemical Structure Depiction of
[9-(4-butylphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
[9-(4-butylphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
Compound characteristics
| Compound ID: | 8255-1231 |
| Compound Name: | [9-(4-butylphenyl)-1,7-dimethyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C22 H27 N5 O4 |
| Smiles: | CCCCc1ccc(cc1)N1CC(C)Cn2c3C(N(CC(O)=O)C(N(C)c3nc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2229 |
| logD: | -0.6535 |
| logSw: | -3.3337 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.305 |
| InChI Key: | ZHWXCLDOTDKUOB-AWEZNQCLSA-N |