2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-nitrophenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-nitrophenyl)acrylamide
2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-nitrophenyl)acrylamide
Compound characteristics
| Compound ID: | C146-1191 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(4-nitrophenyl)acrylamide |
| Molecular Weight: | 361.4 |
| Molecular Formula: | C14 H11 N5 O3 S2 |
| Smiles: | CCSc1nc(NC(C(=C/c2ccc(cc2)[N+]([O-])=O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.84 |
| logD: | 3.17 |
| logSw: | -4.69 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 257.04 |
| InChI Key: | WNHPMBXAOWBYRR-UHFFFAOYSA-N |