N-{2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
Chemical Structure Depiction of
N-{2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
N-{2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine
Compound characteristics
Compound ID: | D715-0437 |
Compound Name: | N-{2-[(4-butyl-2-oxo-2H-1-benzopyran-7-yl)oxy]propanoyl}-beta-alanine |
Molecular Weight: | 361.39 |
Molecular Formula: | C19 H23 N O6 |
Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OC(C)C(NCCC(O)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.6711 |
logD: | -1.0245 |
logSw: | -2.4757 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.345 |
InChI Key: | UMYSCSFQFDECSA-LBPRGKRZSA-N |