N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-beta-alanine
N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-beta-alanine
Compound characteristics
| Compound ID: | Y041-2144 |
| Compound Name: | N-{[5-methyl-3-(4-methylphenyl)-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-beta-alanine |
| Molecular Weight: | 419.43 |
| Molecular Formula: | C24 H21 N O6 |
| Smiles: | CC1=C(CC(NCCC(O)=O)=O)C(=O)Oc2cc3c(cc12)c(co3)c1ccc(C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.8319 |
| logD: | 0.1362 |
| logSw: | -3.3309 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.145 |
| InChI Key: | DVBINUXPEYEXOG-UHFFFAOYSA-N |