9-{[4-acetyl-5-(4-ethoxy-3-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
9-{[4-acetyl-5-(4-ethoxy-3-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
9-{[4-acetyl-5-(4-ethoxy-3-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | G642-0550 |
| Compound Name: | 9-{[4-acetyl-5-(4-ethoxy-3-methoxyphenyl)-4,5-dihydro-1,3,4-oxadiazol-2-yl]methyl}-1,3-dimethyl-3,9-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 456.46 |
| Molecular Formula: | C21 H24 N6 O6 |
| Smiles: | CCOc1ccc(cc1OC)C1N(C(C)=O)N=C(Cn2cnc3C(N(C)C(N(C)c23)=O)=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1637 |
| logD: | 1.1635 |
| logSw: | -2.0529 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 93.175 |
| InChI Key: | UXRVCCCJMDWHEF-HXUWFJFHSA-N |