3-(4-chlorophenyl)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-methyl-4H-1-benzopyran-4-one
3-(4-chlorophenyl)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2743 |
| Compound Name: | 3-(4-chlorophenyl)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 428.91 |
| Molecular Formula: | C23 H25 Cl N2 O4 |
| Smiles: | CC1=C(C(c2ccc(c(CN3CCN(CC3)CCO)c2O1)O)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0359 |
| logD: | 2.6095 |
| logSw: | -3.5189 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.737 |
| InChI Key: | BPLGQISUMCSMOJ-UHFFFAOYSA-N |