3-(4-methylphenyl)-1-(2-methylpropyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-methylphenyl)-1-(2-methylpropyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
3-(4-methylphenyl)-1-(2-methylpropyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V013-0830 |
| Compound Name: | 3-(4-methylphenyl)-1-(2-methylpropyl)-7-propyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C19 H24 N4 O2 |
| Smiles: | CCCn1cnc2c1C(N(CC(C)C)C(N2c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2601 |
| logD: | 3.2601 |
| logSw: | -3.1314 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.796 |
| InChI Key: | WGAYIFFWOCEFPF-UHFFFAOYSA-N |