ethyl [1-(3-methylbutyl)-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Chemical Structure Depiction of
ethyl [1-(3-methylbutyl)-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
ethyl [1-(3-methylbutyl)-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate
Compound characteristics
| Compound ID: | V012-7664 |
| Compound Name: | ethyl [1-(3-methylbutyl)-3-(2-methylphenyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetate |
| Molecular Weight: | 398.46 |
| Molecular Formula: | C21 H26 N4 O4 |
| Salt: | not_available |
| Smiles: | CCOC(Cn1cnc2c1C(N(CCC(C)C)C(N2c1ccccc1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9594 |
| logD: | 2.9593 |
| logSw: | -3.1102 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.654 |
| InChI Key: | XQWFQNVJEOIRJV-UHFFFAOYSA-N |