3-ethyl-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-ethyl-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
3-ethyl-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0007 |
| Compound Name: | 3-ethyl-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 287.36 |
| Molecular Formula: | C17 H21 N O3 |
| Smiles: | CCC1=C(C)c2ccc(c(CN3CCCC3)c2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.1249 |
| logD: | 1.7876 |
| logSw: | -3.038 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.491 |
| InChI Key: | SJIHRZWWCIAYNG-UHFFFAOYSA-N |