1-cyclohexyl-3-(3,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-cyclohexyl-3-(3,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1-cyclohexyl-3-(3,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V029-3013 |
| Compound Name: | 1-cyclohexyl-3-(3,4-difluorophenyl)-7-[(4-fluorophenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 454.45 |
| Molecular Formula: | C24 H21 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | C1CCC(CC1)N1C(c2c(ncn2Cc2ccc(cc2)F)N(C1=O)c1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3796 |
| logD: | 4.3796 |
| logSw: | -4.324 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.496 |
| InChI Key: | QIBJVWMIJHHITB-UHFFFAOYSA-N |