3-(4-chlorophenyl)-8-[(dibutylamino)methyl]-7-hydroxy-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-8-[(dibutylamino)methyl]-7-hydroxy-4H-1-benzopyran-4-one
3-(4-chlorophenyl)-8-[(dibutylamino)methyl]-7-hydroxy-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5977-0476 |
| Compound Name: | 3-(4-chlorophenyl)-8-[(dibutylamino)methyl]-7-hydroxy-4H-1-benzopyran-4-one |
| Molecular Weight: | 413.94 |
| Molecular Formula: | C24 H28 Cl N O3 |
| Smiles: | CCCCN(CCCC)Cc1c(ccc2C(C(=COc12)c1ccc(cc1)[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.0533 |
| logD: | 5.6215 |
| logSw: | -5.773 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.033 |
| InChI Key: | IWQVPJNULWXZLT-UHFFFAOYSA-N |