7-bromo-N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-bromo-N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide
7-bromo-N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0385 |
| Compound Name: | 7-bromo-N-(2-oxo-2H-1-benzopyran-7-yl)-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 410.22 |
| Molecular Formula: | C20 H12 Br N O4 |
| Smiles: | C1=Cc2ccc(cc2OC1=O)NC(C1C=COc2ccc(cc2C=1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.587 |
| logD: | 4.5865 |
| logSw: | -4.6549 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.361 |
| InChI Key: | RTXSEPVIZZHZCE-UHFFFAOYSA-N |