N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]-L-leucine
Chemical Structure Depiction of
N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]-L-leucine
N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]-L-leucine
Compound characteristics
| Compound ID: | Y042-9578 |
| Compound Name: | N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]-L-leucine |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C26 H31 N O6 |
| Smiles: | CC(C)C[C@@H](C(O)=O)NC(CCC1=C(C)c2cc3c4CCCCc4oc3c(C)c2OC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.574 |
| logD: | -0.0439 |
| logSw: | -3.8754 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.703 |
| InChI Key: | VNNKWAZGNNQDCX-FQEVSTJZSA-N |