2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(3-nitrophenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(3-nitrophenyl)acrylamide
2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(3-nitrophenyl)acrylamide
Compound characteristics
| Compound ID: | C146-0174 |
| Compound Name: | 2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(3-nitrophenyl)acrylamide |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C13 H9 N5 O3 S2 |
| Smiles: | CSc1nc(NC(C(=C/c2cccc(c2)[N+]([O-])=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.32 |
| logD: | 2.65 |
| logSw: | -4.28 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 255.76 |
| InChI Key: | VLLJGDROYIPMRQ-UHFFFAOYSA-N |