3-(4-chlorophenyl)-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-(4-chlorophenyl)-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-0181 |
| Compound Name: | 3-(4-chlorophenyl)-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 336.82 |
| Molecular Formula: | C13 H9 Cl N4 O S2 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc(cc2)[Cl])\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.11 |
| logD: | 3.44 |
| logSw: | -5.06 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 172.04 |
| InChI Key: | MVBCFOVVJUWBIZ-UHFFFAOYSA-N |