N-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-beta-alanine
Chemical Structure Depiction of
N-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-beta-alanine
N-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-beta-alanine
Compound characteristics
Compound ID: | Y041-2136 |
Compound Name: | N-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}-beta-alanine |
Molecular Weight: | 484.3 |
Molecular Formula: | C23 H18 Br N O6 |
Smiles: | CC1=C(CC(NCCC(O)=O)=O)C(=O)Oc2cc3c(cc12)c(co3)c1ccc(cc1)[Br] |
Stereo: | ACHIRAL |
logP: | 3.2424 |
logD: | 0.5467 |
logSw: | -3.44 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 83.145 |
InChI Key: | RYNKFJLWDAWYJF-UHFFFAOYSA-N |