7-bromo-N-(2-ethyl-6-methylphenyl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-bromo-N-(2-ethyl-6-methylphenyl)-1-benzoxepine-4-carboxamide
7-bromo-N-(2-ethyl-6-methylphenyl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0406 |
| Compound Name: | 7-bromo-N-(2-ethyl-6-methylphenyl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 384.27 |
| Molecular Formula: | C20 H18 Br N O2 |
| Smiles: | CCc1cccc(C)c1NC(C1C=COc2ccc(cc2C=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.3515 |
| logD: | 5.3515 |
| logSw: | -5.3771 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.5586 |
| InChI Key: | YEJOGRNESLQQCU-UHFFFAOYSA-N |