1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]piperidine-4-carboxylic acid
Chemical Structure Depiction of
1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]piperidine-4-carboxylic acid
1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]piperidine-4-carboxylic acid
Compound characteristics
Compound ID: | D715-1169 |
Compound Name: | 1-[3-(7-hydroxy-4,8-dimethyl-2-oxo-2H-1-benzopyran-3-yl)propanoyl]piperidine-4-carboxylic acid |
Molecular Weight: | 373.4 |
Molecular Formula: | C20 H23 N O6 |
Smiles: | CC1=C(CCC(N2CCC(CC2)C(O)=O)=O)C(=O)Oc2c1ccc(c2C)O |
Stereo: | ACHIRAL |
logP: | 1.2728 |
logD: | -1.2802 |
logSw: | -2.2456 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.922 |
InChI Key: | YWEJLBIIFWLGOR-UHFFFAOYSA-N |