methyl N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-beta-alaninate
methyl N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-0254 |
| Compound Name: | methyl N-[3-(2,3,5,9-tetramethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-beta-alaninate |
| Molecular Weight: | 399.44 |
| Molecular Formula: | C22 H25 N O6 |
| Smiles: | CC1=C(CCC(NCCC(=O)OC)=O)C(=O)Oc2c1cc1c(C)c(C)oc1c2C |
| Stereo: | ACHIRAL |
| logP: | 2.6145 |
| logD: | 2.6145 |
| logSw: | -2.9622 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.917 |
| InChI Key: | CPLRXWGPHCJPGN-UHFFFAOYSA-N |