7-benzyl-3-(2,4-difluorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-benzyl-3-(2,4-difluorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
7-benzyl-3-(2,4-difluorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-1257 |
| Compound Name: | 7-benzyl-3-(2,4-difluorophenyl)-1-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C23 H22 F2 N4 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2ccccc2)N(C1=O)c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0384 |
| logD: | 4.0384 |
| logSw: | -4.0835 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.223 |
| InChI Key: | OUEKLDXDNVOCPN-UHFFFAOYSA-N |