7-bromo-N-(3-methoxyphenyl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-bromo-N-(3-methoxyphenyl)-1-benzoxepine-4-carboxamide
7-bromo-N-(3-methoxyphenyl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0316 |
| Compound Name: | 7-bromo-N-(3-methoxyphenyl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 372.22 |
| Molecular Formula: | C18 H14 Br N O3 |
| Smiles: | COc1cccc(c1)NC(C1C=COc2ccc(cc2C=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8866 |
| logD: | 4.8866 |
| logSw: | -4.6919 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.498 |
| InChI Key: | TUOIXPDVIYQIAS-UHFFFAOYSA-N |