6-ethyl-7-hydroxy-4-phenyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-ethyl-7-hydroxy-4-phenyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
6-ethyl-7-hydroxy-4-phenyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0069 |
| Compound Name: | 6-ethyl-7-hydroxy-4-phenyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C22 H23 N O3 |
| Smiles: | CCc1cc2C(=CC(=O)Oc2c(CN2CCCC2)c1O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2318 |
| logD: | 2.7935 |
| logSw: | -4.227 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.636 |
| InChI Key: | NZYIMYYVGKUQJI-UHFFFAOYSA-N |