8-[(4-chlorophenyl)methyl]-7-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
8-[(4-chlorophenyl)methyl]-7-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
8-[(4-chlorophenyl)methyl]-7-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 7599-0847 |
| Compound Name: | 8-[(4-chlorophenyl)methyl]-7-{[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 493.95 |
| Molecular Formula: | C25 H24 Cl N5 O4 |
| Smiles: | CN1C(c2c(nc(Cc3ccc(cc3)[Cl])n2CC2CC(c3ccc(cc3)OC)=NO2)N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6759 |
| logD: | 4.6759 |
| logSw: | -4.9171 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.789 |
| InChI Key: | VWBZRBIQAKYQDG-LJQANCHMSA-N |