4-butyl-6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-2H-1-benzopyran-2-one
4-butyl-6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | D635-0132 |
Compound Name: | 4-butyl-6-chloro-8-[(dimethylamino)methyl]-7-hydroxy-2H-1-benzopyran-2-one |
Molecular Weight: | 309.79 |
Molecular Formula: | C16 H20 Cl N O3 |
Smiles: | CCCCC1=CC(=O)Oc2c1cc(c(c2CN(C)C)O)[Cl] |
Stereo: | ACHIRAL |
logP: | 4.0397 |
logD: | 3.5447 |
logSw: | -4.2123 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 39.696 |
InChI Key: | VHRDZSZXCHXPTP-UHFFFAOYSA-N |