6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0085 |
| Compound Name: | 6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 267.71 |
| Molecular Formula: | C13 H14 Cl N O3 |
| Smiles: | CC1=CC(=O)Oc2c1cc(c(c2CN(C)C)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.6334 |
| logD: | 2.1384 |
| logSw: | -3.315 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.696 |
| InChI Key: | HOXMXMVWYGPXRV-UHFFFAOYSA-N |