methyl ({3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl}oxy)acetate
Chemical Structure Depiction of
methyl ({3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl}oxy)acetate
methyl ({3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl}oxy)acetate
Compound characteristics
| Compound ID: | Y040-5897 |
| Compound Name: | methyl ({3-[(4-chlorophenyl)methyl]-1,2-benzoxazol-6-yl}oxy)acetate |
| Molecular Weight: | 331.75 |
| Molecular Formula: | C17 H14 Cl N O4 |
| Smiles: | COC(COc1ccc2c(Cc3ccc(cc3)[Cl])noc2c1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6408 |
| logD: | 3.6408 |
| logSw: | -4.1215 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.739 |
| InChI Key: | KADNCZDHKJGPKS-UHFFFAOYSA-N |