6-chloro-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-chloro-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-4-oxo-4H-1-benzopyran-2-carboxamide--hydrogen chloride (1/1)
6-chloro-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: | D491-8302 |
| Compound Name: | 6-chloro-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: | 466.36 |
| Molecular Formula: | C22 H24 Cl N3 O4 |
| Salt: | HCl |
| Smiles: | [H]N(CC(c1ccc(C)o1)N1CCN(C)CC1)C(C1=CC(c2cc(ccc2O1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9355 |
| logD: | 2.4555 |
| logSw: | -3.6412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.029 |
| InChI Key: | PQIUKZKOFVTAGJ-KRWDZBQOSA-N |