N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]isoleucine
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]isoleucine
N-[3-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)propanoyl]isoleucine
Compound characteristics
| Compound ID: | Y041-1916 |
| 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]isoleucine |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C26 H31 N O6 |
| Smiles: | CC[C@H](C)[C@H](C(O)=O)NC(CCC1=C(C)c2cc3c4CCCCc4oc3c(C)c2OC1=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3469 |
| logD: | -0.2402 |
| logSw: | -3.7008 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.425 |
| InChI Key: | DPIMMPIMQIETGR-DMZKTXOQSA-N |