6-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
6-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
6-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | D491-8300 |
| Compound Name: | 6-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 445.95 |
| Molecular Formula: | C23 H27 N3 O4 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(C)o1)N1CCN(C)CC1)C(C1=CC(c2cc(C)ccc2O1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6612 |
| logD: | 2.1811 |
| logSw: | -3.1937 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.029 |
| InChI Key: | JNKUCQNBOWXIGJ-SFHVURJKSA-N |