6-chloro-8-[(diethylamino)methyl]-7-hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-8-[(diethylamino)methyl]-7-hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one
6-chloro-8-[(diethylamino)methyl]-7-hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0099 |
| Compound Name: | 6-chloro-8-[(diethylamino)methyl]-7-hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 309.79 |
| Molecular Formula: | C16 H20 Cl N O3 |
| Smiles: | CCN(CC)Cc1c(c(cc2C(C)=C(C)C(=O)Oc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 4.0751 |
| logD: | 3.3493 |
| logSw: | -4.2497 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.756 |
| InChI Key: | PUNBKTWSQLGVEG-UHFFFAOYSA-N |