3-(2-bromophenoxy)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(2-bromophenoxy)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-methyl-4H-1-benzopyran-4-one
3-(2-bromophenoxy)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-1182 |
| Compound Name: | 3-(2-bromophenoxy)-7-hydroxy-8-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 489.37 |
| Molecular Formula: | C23 H25 Br N2 O5 |
| Smiles: | CC1=C(C(c2ccc(c(CN3CCN(CC3)CCO)c2O1)O)=O)Oc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.9996 |
| logD: | 2.5733 |
| logSw: | -3.2202 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.16 |
| InChI Key: | ZMEKEHVCIPUIMD-UHFFFAOYSA-N |