6-bromo-N-[2-(5-methylfuran-2-yl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-bromo-N-[2-(5-methylfuran-2-yl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
6-bromo-N-[2-(5-methylfuran-2-yl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-8139 |
| Compound Name: | 6-bromo-N-[2-(5-methylfuran-2-yl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 495.8 |
| Molecular Formula: | C22 H23 Br N2 O4 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(C)o1)N1CCCCC1)C(C1=CC(c2cc(ccc2O1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1945 |
| logD: | 3.2583 |
| logSw: | -4.2785 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.552 |
| InChI Key: | VMTRAQIQBVXMPN-KRWDZBQOSA-N |