8-methyl-N-(2-oxo-2H-1-benzopyran-6-yl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
8-methyl-N-(2-oxo-2H-1-benzopyran-6-yl)-1-benzoxepine-4-carboxamide
8-methyl-N-(2-oxo-2H-1-benzopyran-6-yl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D547-0182 |
| Compound Name: | 8-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=COc2c1)C(Nc1ccc2c(C=CC(=O)O2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2339 |
| logD: | 4.2338 |
| logSw: | -4.4545 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.361 |
| InChI Key: | WAUJPKUFNDYDKW-UHFFFAOYSA-N |