7-bromo-N-[2-(5-methylfuran-2-yl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Chemical Structure Depiction of
7-bromo-N-[2-(5-methylfuran-2-yl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide
7-bromo-N-[2-(5-methylfuran-2-yl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide
Compound characteristics
| Compound ID: | D491-8140 |
| Compound Name: | 7-bromo-N-[2-(5-methylfuran-2-yl)-2-(piperidin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide |
| Molecular Weight: | 495.8 |
| Molecular Formula: | C22 H23 Br N2 O4 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(C)o1)N1CCCCC1)C(C1=CC(c2ccc(cc2O1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1764 |
| logD: | 3.2402 |
| logSw: | -4.2724 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.552 |
| InChI Key: | CBYGMHMUWJLTOL-KRWDZBQOSA-N |