methyl N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-beta-alaninate
Chemical Structure Depiction of
methyl N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-beta-alaninate
methyl N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-beta-alaninate
Compound characteristics
| Compound ID: | Y041-0654 |
| Compound Name: | methyl N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-beta-alaninate |
| Molecular Weight: | 385.42 |
| Molecular Formula: | C21 H23 N O6 |
| Smiles: | CC1=C(CCC(NCCC(=O)OC)=O)C(=O)Oc2c1cc1c(C)coc1c2C |
| Stereo: | ACHIRAL |
| logP: | 2.235 |
| logD: | 2.235 |
| logSw: | -2.6546 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.529 |
| InChI Key: | XMRNTMYTTBVTSL-UHFFFAOYSA-N |