7-ethyl-1-(2-methylpropyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-ethyl-1-(2-methylpropyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
7-ethyl-1-(2-methylpropyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V012-7682 |
| Compound Name: | 7-ethyl-1-(2-methylpropyl)-3-[4-(propan-2-yl)phenyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | CCn1cnc2c1C(N(CC(C)C)C(N2c1ccc(cc1)C(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7465 |
| logD: | 3.7465 |
| logSw: | -3.8962 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.542 |
| InChI Key: | DCVWXVOTXDEXHQ-UHFFFAOYSA-N |