6-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
6-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | Y200-6488 |
| Compound Name: | 6-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 428.32 |
| Molecular Formula: | C22 H22 Br N O3 |
| Smiles: | CC(c1ccc(cc1)C(C)(C)C)NC(C1=Cc2cc(ccc2OC1=O)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5162 |
| logD: | 5.5158 |
| logSw: | -5.5868 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.737 |
| InChI Key: | PYGANGVRBASPBZ-ZDUSSCGKSA-N |