4-butyl-5-hydroxy-7-methyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-5-hydroxy-7-methyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
4-butyl-5-hydroxy-7-methyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y042-9229 |
| Compound Name: | 4-butyl-5-hydroxy-7-methyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 315.41 |
| Molecular Formula: | C19 H25 N O3 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(C)c(CN3CCCC3)c(c12)O |
| Stereo: | ACHIRAL |
| logP: | 4.2267 |
| logD: | 2.5971 |
| logSw: | -4.145 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.223 |
| InChI Key: | JVUSJLAVYNYOBV-UHFFFAOYSA-N |