ethyl 6-methyl-5-[(3-nitrophenyl)methyl]-4-oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-5-[(3-nitrophenyl)methyl]-4-oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
ethyl 6-methyl-5-[(3-nitrophenyl)methyl]-4-oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | G662-1096 |
| Compound Name: | ethyl 6-methyl-5-[(3-nitrophenyl)methyl]-4-oxo-4,5-dihydro[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate |
| Molecular Weight: | 358.31 |
| Molecular Formula: | C16 H14 N4 O6 |
| Smiles: | CCOC(c1c2C(N(Cc3cccc(c3)[N+]([O-])=O)C(C)=Nc2on1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8679 |
| logD: | 1.8679 |
| logSw: | -2.2918 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 100.155 |
| InChI Key: | XSPQAITWGGGDFB-UHFFFAOYSA-N |