3-(3,4-difluorophenyl)-7-[(3-nitrophenyl)methyl]-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(3,4-difluorophenyl)-7-[(3-nitrophenyl)methyl]-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
3-(3,4-difluorophenyl)-7-[(3-nitrophenyl)methyl]-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V024-0562 |
| Compound Name: | 3-(3,4-difluorophenyl)-7-[(3-nitrophenyl)methyl]-1-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 441.39 |
| Molecular Formula: | C21 H17 F2 N5 O4 |
| Salt: | not_available |
| Smiles: | CC(C)N1C(c2c(ncn2Cc2cccc(c2)[N+]([O-])=O)N(C1=O)c1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2681 |
| logD: | 3.2681 |
| logSw: | -3.4589 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.648 |
| InChI Key: | DRVJFORBMXSDJT-UHFFFAOYSA-N |