1-cyclohexyl-3-(3,4-difluorophenyl)-7-[(2-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
1-cyclohexyl-3-(3,4-difluorophenyl)-7-[(2-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
1-cyclohexyl-3-(3,4-difluorophenyl)-7-[(2-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V028-9431 |
| Compound Name: | 1-cyclohexyl-3-(3,4-difluorophenyl)-7-[(2-methoxyphenyl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 466.49 |
| Molecular Formula: | C25 H24 F2 N4 O3 |
| Salt: | not_available |
| Smiles: | COc1ccccc1Cn1cnc2c1C(N(C1CCCCC1)C(N2c1ccc(c(c1)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4671 |
| logD: | 4.4671 |
| logSw: | -4.4461 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.126 |
| InChI Key: | PWAPYAIEUUHRIS-UHFFFAOYSA-N |