3-(1-benzyl-1H-indol-3-yl)-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Chemical Structure Depiction of
3-(1-benzyl-1H-indol-3-yl)-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
3-(1-benzyl-1H-indol-3-yl)-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide
Compound characteristics
| Compound ID: | 4272-0023 |
| Compound Name: | 3-(1-benzyl-1H-indol-3-yl)-N~1~-(5-butyl-1,3,4-thiadiazol-2-yl)-2-cyanoacrylamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C25 H23 N5 O S |
| Smiles: | CCCCc1nnc(NC(C(=C/c2cn(Cc3ccccc3)c3ccccc23)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.73 |
| logD: | 3.37 |
| logSw: | -6.28 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.44 |
| InChI Key: | QSJYGAMXYBUAFD-UHFFFAOYSA-N |