7-ethyl-3-(4-fluorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-ethyl-3-(4-fluorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
7-ethyl-3-(4-fluorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V027-6708 |
| Compound Name: | 7-ethyl-3-(4-fluorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 344.39 |
| Molecular Formula: | C18 H21 F N4 O2 |
| Salt: | not_available |
| Smiles: | CCn1cnc2c1C(N(CCC(C)C)C(N2c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8316 |
| logD: | 2.8316 |
| logSw: | -3.0415 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.521 |
| InChI Key: | XMSQEZVQQLXKDQ-UHFFFAOYSA-N |