3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-methyl-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-3854 |
| Compound Name: | 3-(2-bromophenoxy)-8-[(diethylamino)methyl]-7-hydroxy-2-methyl-4H-1-benzopyran-4-one |
| Molecular Weight: | 432.31 |
| Molecular Formula: | C21 H22 Br N O4 |
| Smiles: | CCN(CC)Cc1c(ccc2C(C(=C(C)Oc12)Oc1ccccc1[Br])=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.5387 |
| logD: | 3.4928 |
| logSw: | -4.2103 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.415 |
| InChI Key: | RIPNCCIRSCZKNR-UHFFFAOYSA-N |