6-bromo-N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-bromo-N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
6-bromo-N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-2331 |
| Compound Name: | 6-bromo-N-[2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 507.85 |
| Molecular Formula: | C24 H27 Br N2 O3 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(cc1)C(C)(C)C)N(C)C)C(C1=CC(c2cc(ccc2O1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3635 |
| logD: | 4.5665 |
| logSw: | -5.4508 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.812 |
| InChI Key: | OLUKORBEULFVKO-IBGZPJMESA-N |