3-(4-chlorophenyl)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
3-(4-chlorophenyl)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | G786-1936 |
| Compound Name: | 3-(4-chlorophenyl)-7-hydroxy-8-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 355.82 |
| Molecular Formula: | C20 H18 Cl N O3 |
| Smiles: | C1CCN(C1)Cc1c(ccc2C=C(C(=O)Oc12)c1ccc(cc1)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 4.1666 |
| logD: | 3.4692 |
| logSw: | -4.4611 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.22 |
| InChI Key: | JECMGAOXZZCIEU-UHFFFAOYSA-N |