7-ethyl-3-(4-fluorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-ethyl-3-(4-fluorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
7-ethyl-3-(4-fluorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V021-4812 |
| Compound Name: | 7-ethyl-3-(4-fluorophenyl)-1-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 314.32 |
| Molecular Formula: | C16 H15 F N4 O2 |
| Salt: | not_available |
| Smiles: | CCn1cnc2c1C(N(CC=C)C(N2c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.682 |
| logD: | 1.682 |
| logSw: | -1.9514 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.521 |
| InChI Key: | KPQXFTNHXISINQ-UHFFFAOYSA-N |