N-{[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-beta-alanine
N-{[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | D715-0602 |
| Compound Name: | N-{[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]acetyl}-beta-alanine |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C19 H21 N O6 |
| Smiles: | Cc1c(ccc2C3CCCCC=3C(=O)Oc12)OCC(NCCC(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4623 |
| logD: | -1.2334 |
| logSw: | -2.1692 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.048 |
| InChI Key: | VREQNJKNLFSJKH-UHFFFAOYSA-N |