2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C355-0599 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 459.46 |
| Molecular Formula: | C18 H13 N5 O6 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c3cccc(c3)[N+]([O-])=O)o2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.54 |
| logD: | 1.17 |
| logSw: | -4.56 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 280.37 |
| InChI Key: | KUXWPGBQWCMPHL-UHFFFAOYSA-N |