N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-beta-alanine
Chemical Structure Depiction of
N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-beta-alanine
N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-beta-alanine
Compound characteristics
| Compound ID: | Y041-1736 |
| Compound Name: | N-[3-(3-tert-butyl-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)propanoyl]-beta-alanine |
| Molecular Weight: | 399.44 |
| Molecular Formula: | C22 H25 N O6 |
| Smiles: | CC1=C(CCC(NCCC(O)=O)=O)C(=O)Oc2cc3c(cc12)c(co3)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 2.2388 |
| logD: | -0.4569 |
| logSw: | -2.5777 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.417 |
| InChI Key: | CNCAXSLWXNJBBF-UHFFFAOYSA-N |