N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide
N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0078 |
| Compound Name: | N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 331.33 |
| Molecular Formula: | C20 H13 N O4 |
| Smiles: | C1=Cc2ccc(cc2OC1=O)NC(C1C=COc2ccccc2C=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8476 |
| logD: | 3.8472 |
| logSw: | -4.3266 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.361 |
| InChI Key: | MSKBCLDTAJUUCT-UHFFFAOYSA-N |