N-(4H-1,2,4-triazol-4-yl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4H-1,2,4-triazol-4-yl)-2H-1,3-benzodioxole-5-carboxamide
N-(4H-1,2,4-triazol-4-yl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y032-0307 |
| Compound Name: | N-(4H-1,2,4-triazol-4-yl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 232.2 |
| Molecular Formula: | C10 H8 N4 O3 |
| Smiles: | C1Oc2ccc(cc2O1)C(Nn1cnnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1338 |
| logD: | 0.1338 |
| logSw: | -1.8812 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.308 |
| InChI Key: | OQOLZQSYLBDAQJ-UHFFFAOYSA-N |