N-[3-(1H-tetrazol-1-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[3-(1H-tetrazol-1-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[3-(1H-tetrazol-1-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | F517-0030 |
| Compound Name: | N-[3-(1H-tetrazol-1-yl)phenyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 309.28 |
| Molecular Formula: | C15 H11 N5 O3 |
| Smiles: | C1Oc2ccc(cc2O1)C(Nc1cccc(c1)n1cnnn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3048 |
| logD: | 2.3048 |
| logSw: | -3.0918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.21 |
| InChI Key: | HLYWDWBDQSVORM-UHFFFAOYSA-N |