3-[4-(benzyloxy)-3-ethoxyphenyl]-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-ethoxyphenyl]-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
3-[4-(benzyloxy)-3-ethoxyphenyl]-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0054 |
| Compound Name: | 3-[4-(benzyloxy)-3-ethoxyphenyl]-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2ccc(c(c2)OCC)OCc2ccccc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.5 |
| logD: | 3.57 |
| logSw: | -6.13 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 147.4 |
| InChI Key: | ICSXPYBRXLMSLG-UHFFFAOYSA-N |