N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl}-beta-alanine
N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | Y042-8686 |
| Compound Name: | N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C19 H21 N O6 |
| Smiles: | Cc1cc(c2C3CCCCC=3C(=O)Oc2c1)OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6509 |
| logD: | -1.0448 |
| logSw: | -1.7289 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.363 |
| InChI Key: | WZWDOODYPQXYJB-UHFFFAOYSA-N |