3-{3-[2-(4-bromophenoxy)ethoxy]phenyl}-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Chemical Structure Depiction of
3-{3-[2-(4-bromophenoxy)ethoxy]phenyl}-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
3-{3-[2-(4-bromophenoxy)ethoxy]phenyl}-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0367 |
| Compound Name: | 3-{3-[2-(4-bromophenoxy)ethoxy]phenyl}-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide |
| Molecular Weight: | 527.44 |
| Molecular Formula: | C24 H23 Br N4 O3 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cccc(c2)OCCOc2ccc(cc2)[Br])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.49 |
| logD: | 4.56 |
| logSw: | -7.08 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 165.16 |
| InChI Key: | OSDASRVRUQDHFO-UHFFFAOYSA-N |