[9-(4-butylphenyl)-1-methyl-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-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
[9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid
Compound characteristics
| Compound ID: | 8255-1209 |
| Compound Name: | [9-(4-butylphenyl)-1-methyl-2,4-dioxo-1,4,6,7,8,9-hexahydropyrimido[2,1-f]purin-3(2H)-yl]acetic acid |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C21 H25 N5 O4 |
| Smiles: | CCCCc1ccc(cc1)N1CCCn2c3C(N(CC(O)=O)C(N(C)c3nc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7577 |
| logD: | -1.1187 |
| logSw: | -2.8552 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.438 |
| InChI Key: | QTPUJYFTSDCOFB-UHFFFAOYSA-N |