N-[(3,5-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-beta-alanine
Chemical Structure Depiction of
N-[(3,5-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-beta-alanine
N-[(3,5-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-beta-alanine
Compound characteristics
| Compound ID: | Y041-2357 |
| Compound Name: | N-[(3,5-dimethyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl)acetyl]-beta-alanine |
| Molecular Weight: | 343.33 |
| Molecular Formula: | C18 H17 N O6 |
| Smiles: | CC1=C(CC(NCCC(O)=O)=O)C(=O)Oc2cc3c(cc12)c(C)co3 |
| Stereo: | ACHIRAL |
| logP: | 0.9858 |
| logD: | -1.7099 |
| logSw: | -1.9127 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.417 |
| InChI Key: | AOMQUEDCEIEILC-UHFFFAOYSA-N |