N-{2-[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]propanoyl}-beta-alanine
Chemical Structure Depiction of
N-{2-[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]propanoyl}-beta-alanine
N-{2-[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]propanoyl}-beta-alanine
Compound characteristics
| Compound ID: | Y040-8416 |
| Compound Name: | N-{2-[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]propanoyl}-beta-alanine |
| Molecular Weight: | 373.4 |
| Molecular Formula: | C20 H23 N O6 |
| Smiles: | CC(C(NCCC(O)=O)=O)Oc1ccc2C3CCCCC=3C(=O)Oc2c1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1434 |
| logD: | -0.5523 |
| logSw: | -2.9299 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.551 |
| InChI Key: | KDDMDNCRJZYLLE-LBPRGKRZSA-N |