methyl {7-hydroxy-4-methyl-2-oxo-8-[(3-phenylpyrrolidin-1-yl)methyl]-2H-1-benzopyran-3-yl}acetate
Chemical Structure Depiction of
methyl {7-hydroxy-4-methyl-2-oxo-8-[(3-phenylpyrrolidin-1-yl)methyl]-2H-1-benzopyran-3-yl}acetate
methyl {7-hydroxy-4-methyl-2-oxo-8-[(3-phenylpyrrolidin-1-yl)methyl]-2H-1-benzopyran-3-yl}acetate
Compound characteristics
Compound ID: | Y043-3584 |
Compound Name: | methyl {7-hydroxy-4-methyl-2-oxo-8-[(3-phenylpyrrolidin-1-yl)methyl]-2H-1-benzopyran-3-yl}acetate |
Molecular Weight: | 407.47 |
Molecular Formula: | C24 H25 N O5 |
Smiles: | CC1=C(CC(=O)OC)C(=O)Oc2c1ccc(c2CN1CCC(C1)c1ccccc1)O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8895 |
logD: | 3.0999 |
logSw: | -3.7242 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 61.732 |
InChI Key: | IUHARTVWJBCXCE-QGZVFWFLSA-N |