7-benzyl-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1774 |
| Compound Name: | 7-benzyl-3-(2-methylphenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 372.43 |
| Molecular Formula: | C22 H20 N4 O2 |
| Smiles: | Cc1ccccc1N1C(N(CC=C)C(c2c1ncn2Cc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2629 |
| logD: | 3.2629 |
| logSw: | -3.3153 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.223 |
| InChI Key: | CYZVPPNOKAYOOB-UHFFFAOYSA-N |