N-(4-bromophenyl)-7-methyl-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(4-bromophenyl)-7-methyl-1-benzoxepine-4-carboxamide
N-(4-bromophenyl)-7-methyl-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D547-0018 |
| Compound Name: | N-(4-bromophenyl)-7-methyl-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 356.22 |
| Molecular Formula: | C18 H14 Br N O2 |
| Smiles: | Cc1ccc2c(C=C(C=CO2)C(Nc2ccc(cc2)[Br])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2702 |
| logD: | 5.2699 |
| logSw: | -5.2369 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 28.9542 |
| InChI Key: | QYPHKVMMEGFNPJ-UHFFFAOYSA-N |