7-hydroxy-4,8-dimethyl-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-hydroxy-4,8-dimethyl-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2H-1-benzopyran-2-one
7-hydroxy-4,8-dimethyl-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | D144-1098 |
Compound Name: | 7-hydroxy-4,8-dimethyl-3-[3-oxo-3-(pyrrolidin-1-yl)propyl]-2H-1-benzopyran-2-one |
Molecular Weight: | 315.37 |
Molecular Formula: | C18 H21 N O4 |
Smiles: | CC1=C(CCC(N2CCCC2)=O)C(=O)Oc2c1ccc(c2C)O |
Stereo: | ACHIRAL |
logP: | 2.5625 |
logD: | 2.558 |
logSw: | -2.7994 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.879 |
InChI Key: | TUMKGTFVVZQHAR-UHFFFAOYSA-N |