7-methoxy-N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-methoxy-N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide
7-methoxy-N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0806 |
| Compound Name: | 7-methoxy-N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 361.35 |
| Molecular Formula: | C21 H15 N O5 |
| Smiles: | COc1ccc2c(C=C(C=CO2)C(Nc2ccc3C=CC(=O)Oc3c2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.8522 |
| logD: | 3.8517 |
| logSw: | -4.2601 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.905 |
| InChI Key: | XNGYIXXJUJFBJQ-UHFFFAOYSA-N |