6-bromo-N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-bromo-N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
6-bromo-N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-2333 |
| Compound Name: | 6-bromo-N-[2-(4-tert-butylphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 533.89 |
| Molecular Formula: | C26 H29 Br N2 O3 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(cc1)C(C)(C)C)N1CCCC1)C(C1=CC(c2cc(ccc2O1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7931 |
| logD: | 4.4328 |
| logSw: | -5.5114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.826 |
| InChI Key: | NMIZCIATVUFDBW-NRFANRHFSA-N |