N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)acetyl]-beta-alanine
Chemical Structure Depiction of
N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)acetyl]-beta-alanine
N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)acetyl]-beta-alanine
Compound characteristics
| Compound ID: | Y041-2092 |
| Compound Name: | N-[(4-methyl-2-oxo-6,7,8,9-tetrahydro-2H-[1]benzofuro[3,2-g][1]benzopyran-3-yl)acetyl]-beta-alanine |
| Molecular Weight: | 383.4 |
| Molecular Formula: | C21 H21 N O6 |
| Smiles: | CC1=C(CC(NCCC(O)=O)=O)C(=O)Oc2cc3c(cc12)c1CCCCc1o3 |
| Stereo: | ACHIRAL |
| logP: | 1.7864 |
| logD: | -0.9093 |
| logSw: | -2.1039 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.972 |
| InChI Key: | AEVSEJRAHLUEDG-UHFFFAOYSA-N |