2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide
2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide
Compound characteristics
| Compound ID: | C355-0986 |
| Compound Name: | 2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide |
| Molecular Weight: | 411.41 |
| Molecular Formula: | C14 H13 N5 O6 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc([N+]([O-])=O)o2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.55 |
| logD: | 0.18 |
| logSw: | -3.88 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 291.12 |
| InChI Key: | TVJBUBBJGILYOF-UHFFFAOYSA-N |