3-(4-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
3-(4-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | V023-3851 |
| Compound Name: | 3-(4-chlorophenyl)-7-[(3,4-dichlorophenyl)methyl]-1-[(oxolan-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 505.79 |
| Molecular Formula: | C23 H19 Cl3 N4 O3 |
| Salt: | not_available |
| Smiles: | C1CC(CN2C(c3c(ncn3Cc3ccc(c(c3)[Cl])[Cl])N(C2=O)c2ccc(cc2)[Cl])=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3055 |
| logD: | 4.3055 |
| logSw: | -4.4516 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.929 |
| InChI Key: | ZECDSMZWDIIFBU-QGZVFWFLSA-N |