3-benzyl-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-benzyl-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
3-benzyl-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D635-0031 |
| Compound Name: | 3-benzyl-7-hydroxy-4-methyl-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C22 H23 N O3 |
| Smiles: | CC1=C(Cc2ccccc2)C(=O)Oc2c1ccc(c2CN1CCCC1)O |
| Stereo: | ACHIRAL |
| logP: | 4.1595 |
| logD: | 2.8223 |
| logSw: | -3.9952 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.22 |
| InChI Key: | VZEJWHDAGMTCHS-UHFFFAOYSA-N |