7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide
7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0401 |
| Compound Name: | 7-bromo-N-(2-phenylethyl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 370.24 |
| Molecular Formula: | C19 H16 Br N O2 |
| Smiles: | C(CNC(C1C=COc2ccc(cc2C=1)[Br])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4157 |
| logD: | 4.4157 |
| logSw: | -4.4769 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.1179 |
| InChI Key: | PYIOOFGGNMAAOF-UHFFFAOYSA-N |