N-benzyl-7-bromo-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-benzyl-7-bromo-1-benzoxepine-4-carboxamide
N-benzyl-7-bromo-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0396 |
| Compound Name: | N-benzyl-7-bromo-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 356.22 |
| Molecular Formula: | C18 H14 Br N O2 |
| Smiles: | C(c1ccccc1)NC(C1C=COc2ccc(cc2C=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4822 |
| logD: | 4.4822 |
| logSw: | -4.5453 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.2764 |
| InChI Key: | QUCPBHQOQIJMAJ-UHFFFAOYSA-N |