N-{2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanoyl}-beta-alanine
Chemical Structure Depiction of
N-{2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanoyl}-beta-alanine
N-{2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanoyl}-beta-alanine
Compound characteristics
| Compound ID: | D715-0634 |
| Compound Name: | N-{2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanoyl}-beta-alanine |
| Molecular Weight: | 373.4 |
| Molecular Formula: | C20 H23 N O6 |
| Smiles: | CC(C(NCCC(O)=O)=O)Oc1cc(C)cc2c1C1CCCCC=1C(=O)O2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3431 |
| logD: | -0.3526 |
| logSw: | -2.505 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.867 |
| InChI Key: | NHZGUYBRDIZASZ-LBPRGKRZSA-N |