6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one
6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0100 |
| Compound Name: | 6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-3,4-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 281.74 |
| Molecular Formula: | C14 H16 Cl N O3 |
| Smiles: | CC1=C(C)c2cc(c(c(CN(C)C)c2OC1=O)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1557 |
| logD: | 2.6607 |
| logSw: | -3.357 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.211 |
| InChI Key: | CDCKEABDLGAAEC-UHFFFAOYSA-N |