ethyl 5-[(3-cyanophenyl)methyl]-4-oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
Chemical Structure Depiction of
ethyl 5-[(3-cyanophenyl)methyl]-4-oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
ethyl 5-[(3-cyanophenyl)methyl]-4-oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | G662-0848 |
| Compound Name: | ethyl 5-[(3-cyanophenyl)methyl]-4-oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 324.29 |
| Molecular Formula: | C16 H12 N4 O4 |
| Smiles: | CCOC(c1c2C(N(Cc3cccc(C#N)c3)C=Nc2on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8256 |
| logD: | 0.8256 |
| logSw: | -1.7446 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 85.783 |
| InChI Key: | DQNSQDUFIFWSQW-UHFFFAOYSA-N |