3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole
Chemical Structure Depiction of
3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole
3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole
Compound characteristics
Compound ID: | D136-0047 |
Compound Name: | 3-(4-chlorophenyl)-5-(phenylethynyl)-2,1-benzoxazole |
Molecular Weight: | 329.78 |
Molecular Formula: | C21 H12 Cl N O |
Smiles: | C(#Cc1ccc2c(c1)c(c1ccc(cc1)[Cl])on2)c1ccccc1 |
Stereo: | ACHIRAL |
logP: | 7.0349 |
logD: | 7.0349 |
logSw: | -6.8087 |
Hydrogen bond acceptors count: | 2 |
Polar surface area: | 21.4501 |
InChI Key: | VSUUMLOTDPPXMV-UHFFFAOYSA-N |