3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one
3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-2805 |
| Compound Name: | 3-(2-bromophenoxy)-7-hydroxy-2-methyl-8-[(pyrrolidin-1-yl)methyl]-4H-1-benzopyran-4-one |
| Molecular Weight: | 430.3 |
| Molecular Formula: | C21 H20 Br N O4 |
| Smiles: | CC1=C(C(c2ccc(c(CN3CCCC3)c2O1)O)=O)Oc1ccccc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.2714 |
| logD: | 2.9341 |
| logSw: | -4.0292 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.08 |
| InChI Key: | USFJVBRAPROLHJ-UHFFFAOYSA-N |