N-(2-hydroxyethyl)-7-methoxy-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(2-hydroxyethyl)-7-methoxy-1-benzoxepine-4-carboxamide
N-(2-hydroxyethyl)-7-methoxy-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0863 |
| Compound Name: | N-(2-hydroxyethyl)-7-methoxy-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 261.27 |
| Molecular Formula: | C14 H15 N O4 |
| Smiles: | COc1ccc2c(C=C(C=CO2)C(NCCO)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.5349 |
| logD: | 1.5349 |
| logSw: | -2.0699 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.589 |
| InChI Key: | ROJBTDDGKYDEDS-UHFFFAOYSA-N |