3-benzyl-8-[(diethylamino)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-8-[(diethylamino)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
3-benzyl-8-[(diethylamino)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0106 |
| Compound Name: | 3-benzyl-8-[(diethylamino)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 351.44 |
| Molecular Formula: | C22 H25 N O3 |
| Smiles: | CCN(CC)Cc1c(ccc2C(C)=C(Cc3ccccc3)C(=O)Oc12)O |
| Stereo: | ACHIRAL |
| logP: | 4.4268 |
| logD: | 3.3809 |
| logSw: | -4.1442 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.554 |
| InChI Key: | RMQDPKNOQYZHAD-UHFFFAOYSA-N |