7-ethyl-1-(3-methylbutyl)-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-ethyl-1-(3-methylbutyl)-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
7-ethyl-1-(3-methylbutyl)-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V013-5542 |
| Compound Name: | 7-ethyl-1-(3-methylbutyl)-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 340.42 |
| Molecular Formula: | C19 H24 N4 O2 |
| Smiles: | CCn1cnc2c1C(N(CCC(C)C)C(N2c1ccc(C)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2259 |
| logD: | 3.2259 |
| logSw: | -3.2028 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.521 |
| InChI Key: | PJNBSQGVUFLVDZ-UHFFFAOYSA-N |