6-bromo-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-bromo-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
6-bromo-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-2291 |
| Compound Name: | 6-bromo-N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 465.77 |
| Molecular Formula: | C21 H21 Br N2 O3 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(C)cc1)N(C)C)C(C1=CC(c2cc(ccc2O1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9924 |
| logD: | 3.1954 |
| logSw: | -4.2359 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.812 |
| InChI Key: | XGOSDESYGGDRHH-KRWDZBQOSA-N |