5-hydroxy-7-methyl-4-propyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
5-hydroxy-7-methyl-4-propyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
5-hydroxy-7-methyl-4-propyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-3534 |
| Compound Name: | 5-hydroxy-7-methyl-4-propyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 301.38 |
| Molecular Formula: | C18 H23 N O3 |
| Smiles: | CCCC1=CC(=O)Oc2cc(C)c(CN3CCCC3)c(c12)O |
| Stereo: | ACHIRAL |
| logP: | 3.7466 |
| logD: | 2.117 |
| logSw: | -4.1019 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.223 |
| InChI Key: | GTTHEKSDBORJDR-UHFFFAOYSA-N |