4-butyl-6-[(dimethylamino)methyl]-5-hydroxy-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6-[(dimethylamino)methyl]-5-hydroxy-7-methyl-2H-1-benzopyran-2-one
4-butyl-6-[(dimethylamino)methyl]-5-hydroxy-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-1680 |
| Compound Name: | 4-butyl-6-[(dimethylamino)methyl]-5-hydroxy-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 289.37 |
| Molecular Formula: | C17 H23 N O3 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(C)c(CN(C)C)c(c12)O |
| Stereo: | ACHIRAL |
| logP: | 3.5746 |
| logD: | 2.5335 |
| logSw: | -3.9024 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.012 |
| InChI Key: | GZZWYEMKLABHIO-UHFFFAOYSA-N |