methyl {8-[(dimethylamino)methyl]-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {8-[(dimethylamino)methyl]-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
methyl {8-[(dimethylamino)methyl]-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate
Compound characteristics
| Compound ID: | D635-0017 |
| Compound Name: | methyl {8-[(dimethylamino)methyl]-7-hydroxy-4-methyl-2-oxo-2H-1-benzopyran-3-yl}acetate |
| Molecular Weight: | 305.33 |
| Molecular Formula: | C16 H19 N O5 |
| Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2CN(C)C)O |
| Stereo: | ACHIRAL |
| logP: | 1.571 |
| logD: | 0.7943 |
| logSw: | -2.3948 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.859 |
| InChI Key: | VEOXGAXRNAICCW-UHFFFAOYSA-N |