2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide
Compound characteristics
Compound ID: | C355-1237 |
Compound Name: | 2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-(5-nitro-2-furyl)acrylamide |
Molecular Weight: | 397.39 |
Molecular Formula: | C13 H11 N5 O6 S2 |
Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc([N+]([O-])=O)o2)\C#N)=O)sn1)(=O)=O |
Stereo: | ACHIRAL |
logP: | 2.01 |
logD: | -0.36 |
logSw: | -3.8 |
Hydrogen bond acceptors count: | 14 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 289.4 |
InChI Key: | SFRAFBQJIFQQFG-UHFFFAOYSA-N |