tert-butyl {[3-(4-chlorophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
tert-butyl {[3-(4-chlorophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
tert-butyl {[3-(4-chlorophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | Y040-3397 |
| Compound Name: | tert-butyl {[3-(4-chlorophenyl)-2-oxo-2H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 386.83 |
| Molecular Formula: | C21 H19 Cl O5 |
| Smiles: | CC(C)(C)OC(COc1ccc2C=C(C(=O)Oc2c1)c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6919 |
| logD: | 4.6919 |
| logSw: | -4.8946 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 47.656 |
| InChI Key: | QQHSSPNWKLGYBF-UHFFFAOYSA-N |