S-ethyl-N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-D-homocysteine
Chemical Structure Depiction of
S-ethyl-N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-D-homocysteine
S-ethyl-N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-D-homocysteine
Compound characteristics
| Compound ID: | Y041-2112 |
| Compound Name: | S-ethyl-N-[3-(2,3,5-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-D-homocysteine |
| Molecular Weight: | 445.53 |
| Molecular Formula: | C23 H27 N O6 S |
| Smiles: | CCSCC[C@H](C(O)=O)NC(CCC1=C(C)c2cc3c(C)c(C)oc3cc2OC1=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 3.0075 |
| logD: | -0.6104 |
| logSw: | -3.2115 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.618 |
| InChI Key: | FMPOSKBUOBMXAI-SFHVURJKSA-N |