8-{[benzyl(butyl)amino]methyl}-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-{[benzyl(butyl)amino]methyl}-7-hydroxy-2H-1-benzopyran-2-one
8-{[benzyl(butyl)amino]methyl}-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D355-0037 |
| Compound Name: | 8-{[benzyl(butyl)amino]methyl}-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 337.42 |
| Molecular Formula: | C21 H23 N O3 |
| Smiles: | CCCCN(Cc1ccccc1)Cc1c(ccc2C=CC(=O)Oc12)O |
| Stereo: | ACHIRAL |
| logP: | 4.4035 |
| logD: | 4.3381 |
| logSw: | -3.7229 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.568 |
| InChI Key: | PHMFHCHYRTZBLL-UHFFFAOYSA-N |