6-methoxy-4-{[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-methoxy-4-{[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
6-methoxy-4-{[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one
Compound characteristics
Compound ID: | D222-0085 |
Compound Name: | 6-methoxy-4-{[4-(2-oxo-2H-1-benzopyran-3-carbonyl)piperazin-1-yl]methyl}-2H-1-benzopyran-2-one |
Molecular Weight: | 446.46 |
Molecular Formula: | C25 H22 N2 O6 |
Smiles: | COc1ccc2c(c1)C(CN1CCN(CC1)C(C1=Cc3ccccc3OC1=O)=O)=CC(=O)O2 |
Stereo: | ACHIRAL |
logP: | 2.0989 |
logD: | 2.098 |
logSw: | -3.1392 |
Hydrogen bond acceptors count: | 10 |
Polar surface area: | 69.3 |
InChI Key: | VUGJREAYRJYZHB-UHFFFAOYSA-N |