7-methyl-N-(2-oxo-2H-1-benzopyran-6-yl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-methyl-N-(2-oxo-2H-1-benzopyran-6-yl)-1-benzoxepine-4-carboxamide
7-methyl-N-(2-oxo-2H-1-benzopyran-6-yl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D547-0062 |
| Compound Name: | 7-methyl-N-(2-oxo-2H-1-benzopyran-6-yl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 345.35 |
| Molecular Formula: | C21 H15 N O4 |
| Smiles: | Cc1ccc2c(C=C(C=CO2)C(Nc2ccc3c(C=CC(=O)O3)c2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.9927 |
| logD: | 3.9927 |
| logSw: | -4.1538 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.361 |
| InChI Key: | YSEONKFGIUNCDM-UHFFFAOYSA-N |