N-(5-acetyl-2-methoxyphenyl)-7-bromo-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(5-acetyl-2-methoxyphenyl)-7-bromo-1-benzoxepine-4-carboxamide
N-(5-acetyl-2-methoxyphenyl)-7-bromo-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0409 |
| Compound Name: | N-(5-acetyl-2-methoxyphenyl)-7-bromo-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 414.25 |
| Molecular Formula: | C20 H16 Br N O4 |
| Smiles: | CC(c1ccc(c(c1)NC(C1C=COc2ccc(cc2C=1)[Br])=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3363 |
| logD: | 4.3294 |
| logSw: | -4.4626 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.714 |
| InChI Key: | OOEALUMNGHDIRO-UHFFFAOYSA-N |