7-[(4-tert-butylphenyl)methyl]-3-(2,4-difluorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methyl]-3-(2,4-difluorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
7-[(4-tert-butylphenyl)methyl]-3-(2,4-difluorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1298 |
| Compound Name: | 7-[(4-tert-butylphenyl)methyl]-3-(2,4-difluorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 480.56 |
| Molecular Formula: | C27 H30 F2 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2ccc(cc2)C(C)(C)C)N(C1=O)c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8328 |
| logD: | 5.8328 |
| logSw: | -5.5206 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.223 |
| InChI Key: | GNWVAWCTARXEKP-UHFFFAOYSA-N |