7-bromo-N-[3-(1H-tetrazol-1-yl)phenyl]-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-bromo-N-[3-(1H-tetrazol-1-yl)phenyl]-1-benzoxepine-4-carboxamide
7-bromo-N-[3-(1H-tetrazol-1-yl)phenyl]-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0394 |
| Compound Name: | 7-bromo-N-[3-(1H-tetrazol-1-yl)phenyl]-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 410.23 |
| Molecular Formula: | C18 H12 Br N5 O2 |
| Smiles: | C1=COc2ccc(cc2C=C1C(Nc1cccc(c1)n1cnnn1)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1817 |
| logD: | 4.1817 |
| logSw: | -4.5255 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.72 |
| InChI Key: | GGBQUTPZDLLZOL-UHFFFAOYSA-N |