2-cyano-N~1~-[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide
2-cyano-N~1~-[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide
Compound characteristics
| Compound ID: | C277-0040 |
| Compound Name: | 2-cyano-N~1~-[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C13 H11 N5 O4 S2 |
| Smiles: | CC(C)Sc1nc(NC(C(=C/c2ccc([N+]([O-])=O)o2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.38 |
| logD: | 2.69 |
| logSw: | -4.23 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 258.05 |
| InChI Key: | VQSIGVXMCGYENB-UHFFFAOYSA-N |