1-benzyl-3-(3-fluorophenyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-benzyl-3-(3-fluorophenyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
1-benzyl-3-(3-fluorophenyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V012-6957 |
| Compound Name: | 1-benzyl-3-(3-fluorophenyl)-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 376.39 |
| Molecular Formula: | C21 H17 F N4 O2 |
| Smiles: | C=CCn1cnc2c1C(N(Cc1ccccc1)C(N2c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0509 |
| logD: | 3.0509 |
| logSw: | -3.1867 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.524 |
| InChI Key: | NUDXTWUPIHRYDL-UHFFFAOYSA-N |