2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
Compound characteristics
| Compound ID: | C146-5620 |
| Compound Name: | 2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide |
| Molecular Weight: | 390.55 |
| Molecular Formula: | C17 H18 N4 O S3 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(cc2)SC)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.43 |
| logD: | 4.76 |
| logSw: | -6.19 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 217.37 |
| InChI Key: | LNWJSULMSGVARM-UHFFFAOYSA-N |