4-{[benzyl(propyl)amino]methyl}-7,8-dimethyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-{[benzyl(propyl)amino]methyl}-7,8-dimethyl-2H-1-benzopyran-2-one
4-{[benzyl(propyl)amino]methyl}-7,8-dimethyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D456-0730 |
| Compound Name: | 4-{[benzyl(propyl)amino]methyl}-7,8-dimethyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 335.45 |
| Molecular Formula: | C22 H25 N O2 |
| Smiles: | CCCN(CC1=CC(=O)Oc2c1ccc(C)c2C)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9214 |
| logD: | 4.4793 |
| logSw: | -4.5859 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 24.0201 |
| InChI Key: | WDBMBRDJRHJDKI-UHFFFAOYSA-N |