4-butyl-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
4-butyl-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0004 |
| Compound Name: | 4-butyl-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 301.38 |
| Molecular Formula: | C18 H23 N O3 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2CN1CCCC1)O |
| Stereo: | ACHIRAL |
| logP: | 3.6061 |
| logD: | 2.2688 |
| logSw: | -3.5063 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.977 |
| InChI Key: | LSLYTNAOMGBHIT-UHFFFAOYSA-N |