3-(4-bromophenyl)-7-hydroxy-8-[(piperidin-1-yl)methyl]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-bromophenyl)-7-hydroxy-8-[(piperidin-1-yl)methyl]-4H-1-benzopyran-4-one
3-(4-bromophenyl)-7-hydroxy-8-[(piperidin-1-yl)methyl]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-1170 |
| Compound Name: | 3-(4-bromophenyl)-7-hydroxy-8-[(piperidin-1-yl)methyl]-4H-1-benzopyran-4-one |
| Molecular Weight: | 414.3 |
| Molecular Formula: | C21 H20 Br N O3 |
| Smiles: | C1CCN(CC1)Cc1c(ccc2C(C(=COc12)c1ccc(cc1)[Br])=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.4507 |
| logD: | 4.0605 |
| logSw: | -4.0032 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.825 |
| InChI Key: | HXCWKEAVTVPGAA-UHFFFAOYSA-N |