4-{[3-(2,4-difluorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[3-(2,4-difluorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
4-{[3-(2,4-difluorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | V029-1945 |
| Compound Name: | 4-{[3-(2,4-difluorophenyl)-1-(3-methylbutyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]methyl}benzonitrile |
| Molecular Weight: | 449.46 |
| Molecular Formula: | C24 H21 F2 N5 O2 |
| Salt: | not_available |
| Smiles: | CC(C)CCN1C(c2c(ncn2Cc2ccc(C#N)cc2)N(C1=O)c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6928 |
| logD: | 3.6928 |
| logSw: | -3.9827 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.28 |
| InChI Key: | QHOAUSQAFMCLQA-UHFFFAOYSA-N |