6-chloro-8-[(dimethylamino)methyl]-3-hexyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-8-[(dimethylamino)methyl]-3-hexyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
6-chloro-8-[(dimethylamino)methyl]-3-hexyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0011 |
| Compound Name: | 6-chloro-8-[(dimethylamino)methyl]-3-hexyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 351.87 |
| Molecular Formula: | C19 H26 Cl N O3 |
| Smiles: | CCCCCCC1=C(C)c2cc(c(c(CN(C)C)c2OC1=O)O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.7647 |
| logD: | 5.2697 |
| logSw: | -5.5548 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.211 |
| InChI Key: | VRRZFJQVIUOAJH-UHFFFAOYSA-N |