3-benzyl-6-chloro-8-[(diethylamino)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-6-chloro-8-[(diethylamino)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
3-benzyl-6-chloro-8-[(diethylamino)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0033 |
| Compound Name: | 3-benzyl-6-chloro-8-[(diethylamino)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 385.89 |
| Molecular Formula: | C22 H24 Cl N O3 |
| Smiles: | CCN(CC)Cc1c(c(cc2C(C)=C(Cc3ccccc3)C(=O)Oc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 5.5124 |
| logD: | 4.7867 |
| logSw: | -5.6215 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.485 |
| InChI Key: | JHOAYCMWMHFQIB-UHFFFAOYSA-N |