7-[(3,4-difluorophenyl)methyl]-1-ethyl-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(3,4-difluorophenyl)methyl]-1-ethyl-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(3,4-difluorophenyl)methyl]-1-ethyl-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V015-5566 |
| Compound Name: | 7-[(3,4-difluorophenyl)methyl]-1-ethyl-3-(2-methoxyphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 412.39 |
| Molecular Formula: | C21 H18 F2 N4 O3 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2ccc(c(c2)F)F)N(C1=O)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7646 |
| logD: | 2.7646 |
| logSw: | -3.0359 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.6 |
| InChI Key: | DLJPZKJNZRJQBK-UHFFFAOYSA-N |