6-chloro-8-[(dimethylamino)methyl]-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-8-[(dimethylamino)methyl]-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
6-chloro-8-[(dimethylamino)methyl]-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0094 |
| Compound Name: | 6-chloro-8-[(dimethylamino)methyl]-3-ethyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 295.76 |
| Molecular Formula: | C15 H18 Cl N O3 |
| Smiles: | CCC1=C(C)c2cc(c(c(CN(C)C)c2OC1=O)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5585 |
| logD: | 3.0635 |
| logSw: | -3.7954 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.211 |
| InChI Key: | PXQIPEAKCPMBEM-UHFFFAOYSA-N |