3-benzyl-5-hydroxy-4,7-dimethyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-5-hydroxy-4,7-dimethyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
3-benzyl-5-hydroxy-4,7-dimethyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-3528 |
| Compound Name: | 3-benzyl-5-hydroxy-4,7-dimethyl-6-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C23 H25 N O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2cc(C)c(CN3CCCC3)c(c12)O |
| Stereo: | ACHIRAL |
| logP: | 4.8303 |
| logD: | 3.2007 |
| logSw: | -4.745 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.466 |
| InChI Key: | RHWOIDZJKDPOGS-UHFFFAOYSA-N |