tert-butyl {[3-(4-bromophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]oxy}acetate
Chemical Structure Depiction of
tert-butyl {[3-(4-bromophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]oxy}acetate
tert-butyl {[3-(4-bromophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]oxy}acetate
Compound characteristics
| Compound ID: | G856-6285 |
| Compound Name: | tert-butyl {[3-(4-bromophenyl)-4-methyl-2-oxo-2H-1-benzopyran-6-yl]oxy}acetate |
| Molecular Weight: | 445.31 |
| Molecular Formula: | C22 H21 Br O5 |
| Smiles: | CC1=C(C(=O)Oc2ccc(cc12)OCC(=O)OC(C)(C)C)c1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.4146 |
| logD: | 5.4146 |
| logSw: | -5.5243 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.656 |
| InChI Key: | LSOLFOWFGCQKAN-UHFFFAOYSA-N |