3-(4-methylphenyl)-7-[(2-methylphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-methylphenyl)-7-[(2-methylphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(4-methylphenyl)-7-[(2-methylphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V025-9209 |
| Compound Name: | 3-(4-methylphenyl)-7-[(2-methylphenyl)methyl]-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C23 H22 N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)N1C(N(CC=C)C(c2c1ncn2Cc1ccccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0414 |
| logD: | 4.0414 |
| logSw: | -4.013 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | FLRDJBWDZWRKMK-UHFFFAOYSA-N |