7-bromo-N-[2-oxo-2-(thiophen-2-yl)ethyl]-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-bromo-N-[2-oxo-2-(thiophen-2-yl)ethyl]-1-benzoxepine-4-carboxamide
7-bromo-N-[2-oxo-2-(thiophen-2-yl)ethyl]-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0440 |
| Compound Name: | 7-bromo-N-[2-oxo-2-(thiophen-2-yl)ethyl]-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 390.25 |
| Molecular Formula: | C17 H12 Br N O3 S |
| Smiles: | C(C(c1cccs1)=O)NC(C1C=COc2ccc(cc2C=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1795 |
| logD: | 4.1795 |
| logSw: | -4.4143 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.542 |
| InChI Key: | QLEVXODBHDFAHE-UHFFFAOYSA-N |