7-bromo-N-(propan-2-yl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-bromo-N-(propan-2-yl)-1-benzoxepine-4-carboxamide
7-bromo-N-(propan-2-yl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0428 |
| Compound Name: | 7-bromo-N-(propan-2-yl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 308.17 |
| Molecular Formula: | C14 H14 Br N O2 |
| Smiles: | CC(C)NC(C1C=COc2ccc(cc2C=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6626 |
| logD: | 3.6626 |
| logSw: | -3.8896 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.5221 |
| InChI Key: | QGQDTMKCNAGTLR-UHFFFAOYSA-N |