3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4H-1-benzopyran-4-one
3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 2712-5216 |
| Compound Name: | 3-(2,4-dichlorophenyl)-7-hydroxy-8-[(4-methylpiperazin-1-yl)methyl]-4H-1-benzopyran-4-one |
| Molecular Weight: | 419.31 |
| Molecular Formula: | C21 H20 Cl2 N2 O3 |
| Smiles: | CN1CCN(CC1)Cc1c(ccc2C(C(=COc12)c1ccc(cc1[Cl])[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.6466 |
| logD: | 2.8476 |
| logSw: | -3.8078 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.302 |
| InChI Key: | NSYHDAXCUCUAQG-UHFFFAOYSA-N |