6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1-benzopyran-2-one
6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D144-0883 |
| Compound Name: | 6-chloro-7-hydroxy-4-methyl-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 321.76 |
| Molecular Formula: | C16 H16 Cl N O4 |
| Smiles: | CC1=C(CC(N2CCCC2)=O)C(=O)Oc2cc(c(cc12)[Cl])O |
| Stereo: | ACHIRAL |
| logP: | 2.9403 |
| logD: | 2.613 |
| logSw: | -3.2171 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.195 |
| InChI Key: | HYPOWWFBGTXUKJ-UHFFFAOYSA-N |