3-(4-bromophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl 3,4,5-trimethoxybenzoate
Chemical Structure Depiction of
3-(4-bromophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl 3,4,5-trimethoxybenzoate
3-(4-bromophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl 3,4,5-trimethoxybenzoate
Compound characteristics
| Compound ID: | G856-6343 |
| Compound Name: | 3-(4-bromophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl 3,4,5-trimethoxybenzoate |
| Molecular Weight: | 525.35 |
| Molecular Formula: | C26 H21 Br O7 |
| Smiles: | CC1=C(C(=O)Oc2ccc(cc12)OC(c1cc(c(c(c1)OC)OC)OC)=O)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.1948 |
| logD: | 5.1948 |
| logSw: | -5.2304 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.244 |
| InChI Key: | QZAWRJAKSITIFL-UHFFFAOYSA-N |