3-(2-chlorophenyl)-7-[(3-nitrophenyl)methyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(2-chlorophenyl)-7-[(3-nitrophenyl)methyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(2-chlorophenyl)-7-[(3-nitrophenyl)methyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-6390 |
| Compound Name: | 3-(2-chlorophenyl)-7-[(3-nitrophenyl)methyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 481.89 |
| Molecular Formula: | C23 H20 Cl N5 O5 |
| Salt: | not_available |
| Smiles: | C1CC(CN2C(c3c(ncn3Cc3cccc(c3)[N+]([O-])=O)N(C2=O)c2ccccc2[Cl])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7443 |
| logD: | 2.7443 |
| logSw: | -3.2902 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 84.009 |
| InChI Key: | NEECCYWREUVKES-QGZVFWFLSA-N |