7-hydroxy-3,4-dimethyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-hydroxy-3,4-dimethyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
7-hydroxy-3,4-dimethyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0146 |
| Compound Name: | 7-hydroxy-3,4-dimethyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 273.33 |
| Molecular Formula: | C16 H19 N O3 |
| Smiles: | CC1=C(C)c2ccc(c(CN3CCCC3)c2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.7221 |
| logD: | 1.3849 |
| logSw: | -2.8855 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.491 |
| InChI Key: | DXSGNSQYMKLCOX-UHFFFAOYSA-N |