N-[3-(1H-tetrazol-1-yl)phenyl]-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-[3-(1H-tetrazol-1-yl)phenyl]-1-benzoxepine-4-carboxamide
N-[3-(1H-tetrazol-1-yl)phenyl]-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0092 |
| Compound Name: | N-[3-(1H-tetrazol-1-yl)phenyl]-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 331.33 |
| Molecular Formula: | C18 H13 N5 O2 |
| Smiles: | C1=COc2ccccc2C=C1C(Nc1cccc(c1)n1cnnn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4424 |
| logD: | 3.4424 |
| logSw: | -3.8191 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.72 |
| InChI Key: | WLSJDDQDDIHVLJ-UHFFFAOYSA-N |