2-cyano-3-[4-(diethylamino)phenyl]-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(diethylamino)phenyl]-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[4-(diethylamino)phenyl]-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-5276 |
| Compound Name: | 2-cyano-3-[4-(diethylamino)phenyl]-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 415.58 |
| Molecular Formula: | C20 H25 N5 O S2 |
| Smiles: | CCN(CC)c1ccc(/C=C(/C#N)C(Nc2nc(ns2)SCC(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.52 |
| logD: | 4.85 |
| logSw: | -5.89 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 167.57 |
| InChI Key: | TZGNOSCRUNZHPZ-UHFFFAOYSA-N |