6-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
6-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 8012-7713 |
| Compound Name: | 6-bromo-N-[2-(3,4-diethoxyphenyl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 460.32 |
| Molecular Formula: | C22 H22 Br N O5 |
| Smiles: | CCOc1ccc(CCNC(C2=Cc3cc(ccc3OC2=O)[Br])=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.1281 |
| logD: | 3.1281 |
| logSw: | -3.3797 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.835 |
| InChI Key: | ABQMJFCTHMQGFZ-UHFFFAOYSA-N |