ethyl 1-phenyl-1H-1,2,4-triazole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-phenyl-1H-1,2,4-triazole-3-carboxylate
ethyl 1-phenyl-1H-1,2,4-triazole-3-carboxylate
Compound characteristics
| Compound ID: | C301-3580 |
| Compound Name: | ethyl 1-phenyl-1H-1,2,4-triazole-3-carboxylate |
| Molecular Weight: | 217.22 |
| Molecular Formula: | C11 H11 N3 O2 |
| Smiles: | CCOC(c1ncn(c2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8769 |
| logD: | 1.8769 |
| logSw: | -2.1237 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.932 |
| InChI Key: | XBTNIWJUEHOJSL-UHFFFAOYSA-N |