N-{2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanoyl}valine
Chemical Structure Depiction of
N-{2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanoyl}valine
N-{2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanoyl}valine
Compound characteristics
| Compound ID: | Y042-8697 |
| Compound Name: | N-{2-[(3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-1-yl)oxy]propanoyl}valine |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C22 H27 N O6 |
| Smiles: | CC(C)[C@@H](C(O)=O)NC(C(C)Oc1cc(C)cc2c1C1CCCCC=1C(=O)O2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5846 |
| logD: | -1.0025 |
| logSw: | -2.7068 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.401 |
| InChI Key: | NINAZKHSCYVPNG-YFKXAPIDSA-N |