3-(4-bromophenyl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-bromophenyl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4H-1-benzopyran-4-one
3-(4-bromophenyl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2696 |
| Compound Name: | 3-(4-bromophenyl)-8-[(4-ethylpiperazin-1-yl)methyl]-7-hydroxy-4H-1-benzopyran-4-one |
| Molecular Weight: | 443.34 |
| Molecular Formula: | C22 H23 Br N2 O3 |
| Smiles: | CCN1CCN(CC1)Cc1c(ccc2C(C(=COc12)c1ccc(cc1)[Br])=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.6018 |
| logD: | 2.6701 |
| logSw: | -3.4305 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.362 |
| InChI Key: | DINMFTIPFRHFDO-UHFFFAOYSA-N |