1-ethyl-3-(3-methylphenyl)-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-ethyl-3-(3-methylphenyl)-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
1-ethyl-3-(3-methylphenyl)-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V011-6684 |
| Compound Name: | 1-ethyl-3-(3-methylphenyl)-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 312.37 |
| Molecular Formula: | C17 H20 N4 O2 |
| Smiles: | CCN1C(c2c(ncn2C(C)C)N(C1=O)c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.756 |
| logD: | 2.756 |
| logSw: | -2.7311 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.333 |
| InChI Key: | JFSSTFDDPHAEAU-UHFFFAOYSA-N |