ethyl 7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | D043-0024 |
| Compound Name: | ethyl 7-oxo-2-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 284.27 |
| Molecular Formula: | C14 H12 N4 O3 |
| Smiles: | CCOC(C1=CNc2nc(c3ccccc3)nn2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8053 |
| logD: | 0.0541 |
| logSw: | -2.1703 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.243 |
| InChI Key: | JNDNFXJXTJOTKK-UHFFFAOYSA-N |