7-bromo-N-(2-hydroxyethyl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-bromo-N-(2-hydroxyethyl)-1-benzoxepine-4-carboxamide
7-bromo-N-(2-hydroxyethyl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0435 |
| Compound Name: | 7-bromo-N-(2-hydroxyethyl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 310.14 |
| Molecular Formula: | C13 H12 Br N O3 |
| Smiles: | C(CO)NC(C1C=COc2ccc(cc2C=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2696 |
| logD: | 2.2696 |
| logSw: | -2.7837 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.045 |
| InChI Key: | VEPNJJUYNXHMHO-UHFFFAOYSA-N |