ethyl {1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
ethyl {1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
ethyl {1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | V023-8485 |
| Compound Name: | ethyl {1-(3-methylbutyl)-2,6-dioxo-3-[4-(propan-2-yl)phenyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C23 H30 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(Cn1cnc2c1C(N(CCC(C)C)C(N2c1ccc(cc1)C(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8694 |
| logD: | 3.8694 |
| logSw: | -3.736 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.955 |
| InChI Key: | RABSZTGNMVGOKW-UHFFFAOYSA-N |