N-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}glycylisoleucine
Chemical Structure Depiction of
N-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}glycylisoleucine
N-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}glycylisoleucine
Compound characteristics
| Compound ID: | Y041-2135 |
| Compound Name: | N-{[3-(4-bromophenyl)-5-methyl-7-oxo-7H-furo[3,2-g][1]benzopyran-6-yl]acetyl}glycylisoleucine |
| Molecular Weight: | 583.44 |
| Molecular Formula: | C28 H27 Br N2 O7 |
| Smiles: | CC[C@H](C)[C@H](C(O)=O)NC(CNC(CC1=C(C)c2cc3c(coc3cc2OC1=O)c1ccc(cc1)[Br])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.9501 |
| logD: | 0.3209 |
| logSw: | -4.0055 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.151 |
| InChI Key: | KPBSHIAMKZYHCY-PTFIGZPYSA-N |