2-(4-butoxyphenyl)-5-(4'-pentyl[1,1'-biphenyl]-4-yl)-1,3,4-thiadiazole
Chemical Structure Depiction of
2-(4-butoxyphenyl)-5-(4'-pentyl[1,1'-biphenyl]-4-yl)-1,3,4-thiadiazole
2-(4-butoxyphenyl)-5-(4'-pentyl[1,1'-biphenyl]-4-yl)-1,3,4-thiadiazole
Compound characteristics
| Compound ID: | 0630-0058 |
| Compound Name: | 2-(4-butoxyphenyl)-5-(4'-pentyl[1,1'-biphenyl]-4-yl)-1,3,4-thiadiazole |
| Molecular Weight: | 456.65 |
| Molecular Formula: | C29 H32 N2 O S |
| Smiles: | CCCCCc1ccc(cc1)c1ccc(cc1)c1nnc(c2ccc(cc2)OCCCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 9.9063 |
| logD: | 9.9063 |
| logSw: | -5.8203 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 30.3455 |
| InChI Key: | YZCBFHOSTBWDTP-UHFFFAOYSA-N |