N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl}-L-alanine
Chemical Structure Depiction of
N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl}-L-alanine
N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl}-L-alanine
Compound characteristics
| Compound ID: | Y042-8687 |
| Compound Name: | N-{[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]acetyl}-L-alanine |
| Molecular Weight: | 359.38 |
| Molecular Formula: | C19 H21 N O6 |
| Smiles: | Cc1cc(c2C3CCCCC=3C(=O)Oc2c1)OCC(N[C@@H](C)C(O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.0429 |
| logD: | -1.6058 |
| logSw: | -2.2079 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.709 |
| InChI Key: | OXKAXBBLQVAISI-NSHDSACASA-N |