(1r,4r)-4-({2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
(1r,4r)-4-({2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
(1r,4r)-4-({2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
Compound ID: | D715-1253 |
Compound Name: | (1r,4r)-4-({2-[(4-ethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanamido}methyl)cyclohexane-1-carboxylic acid |
Molecular Weight: | 401.46 |
Molecular Formula: | C22 H27 N O6 |
Smiles: | CCC1=CC(=O)Oc2cc(ccc12)OC(C)C(NC[C@@H]1CC[C@H](CC1)C(O)=O)=O |
Stereo: | ABSOLUTE |
logP: | 2.4852 |
logD: | -0.0751 |
logSw: | -2.8899 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.448 |
InChI Key: | PFJDIEDFCSXTMD-HLIUYOAVSA-N |