2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide
2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide
Compound characteristics
| Compound ID: | C146-0515 |
| Compound Name: | 2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide |
| Molecular Weight: | 337.33 |
| Molecular Formula: | C11 H7 N5 O4 S2 |
| Smiles: | CSc1nc(NC(C(=C/c2ccc([N+]([O-])=O)o2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 2.58 |
| logD: | 1.89 |
| logSw: | -3.81 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 266.22 |
| InChI Key: | FFDKNZWNUVNUNM-UHFFFAOYSA-N |