7-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V015-5496 |
| Compound Name: | 7-[(2,6-difluorophenyl)methyl]-1-ethyl-3-(4-methylphenyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C21 H18 F2 N4 O2 |
| Salt: | not_available |
| Smiles: | CCN1C(c2c(ncn2Cc2c(cccc2F)F)N(C1=O)c1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2435 |
| logD: | 3.2435 |
| logSw: | -3.2178 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.271 |
| InChI Key: | KPMYRHCDZWLPFM-UHFFFAOYSA-N |