6-bromo-N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-bromo-N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
6-bromo-N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-2310 |
| Compound Name: | 6-bromo-N-[2-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 512.23 |
| Molecular Formula: | C22 H20 Br Cl N2 O3 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccccc1[Cl])N1CCCC1)C(C1=CC(c2cc(ccc2O1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6091 |
| logD: | 4.1673 |
| logSw: | -4.6789 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.826 |
| InChI Key: | XLQNIVRDKCXYPD-SFHVURJKSA-N |