3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(piperidin-1-yl)methyl]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(piperidin-1-yl)methyl]-4H-1-benzopyran-4-one
3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(piperidin-1-yl)methyl]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-1227 |
| Compound Name: | 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-[(piperidin-1-yl)methyl]-4H-1-benzopyran-4-one |
| Molecular Weight: | 428.32 |
| Molecular Formula: | C22 H22 Br N O3 |
| Smiles: | CC1=C(C(c2ccc(c(CN3CCCCC3)c2O1)O)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.927 |
| logD: | 3.9933 |
| logSw: | -4.1903 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.291 |
| InChI Key: | MKWUXXVIKFHKLC-UHFFFAOYSA-N |