3-(2,4-difluorophenyl)-1-ethyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2,4-difluorophenyl)-1-ethyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
3-(2,4-difluorophenyl)-1-ethyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V030-2045 |
| Compound Name: | 3-(2,4-difluorophenyl)-1-ethyl-7-(2-phenoxyethyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 412.39 |
| Molecular Formula: | C21 H18 F2 N4 O3 |
| Smiles: | CCN1C(c2c(ncn2CCOc2ccccc2)N(C1=O)c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8694 |
| logD: | 2.8694 |
| logSw: | -3.192 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.366 |
| InChI Key: | BXSADVFPNWKPCD-UHFFFAOYSA-N |