6-bromo-N-[2-(4-methoxyphenyl)-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-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
6-bromo-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-2305 |
| Compound Name: | 6-bromo-N-[2-(4-methoxyphenyl)-2-(pyrrolidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 507.81 |
| Molecular Formula: | C23 H23 Br N2 O4 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(cc1)OC)N1CCCC1)C(C1=CC(c2cc(ccc2O1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.981 |
| logD: | 3.3315 |
| logSw: | -4.1773 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.369 |
| InChI Key: | YAVPEPHATFUMBR-IBGZPJMESA-N |