2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide
Compound characteristics
| Compound ID: | C355-0997 |
| Compound Name: | 2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[4-(methylsulfanyl)phenyl]acrylamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C17 H18 N4 O3 S3 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(cc2)SC)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2 |
| logD: | 1.85 |
| logSw: | -5.19 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 242.8 |
| InChI Key: | URRFURFNGBYGFE-UHFFFAOYSA-N |