2-cyano-N~1~-[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
2-cyano-N~1~-[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C277-0027 |
| Compound Name: | 2-cyano-N~1~-[3-(isopropylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(3-nitrophenyl)-2-furyl]acrylamide |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C19 H15 N5 O4 S2 |
| Smiles: | CC(C)Sc1nc(NC(C(=C/c2ccc(c3cccc(c3)[N+]([O-])=O)o2)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.36 |
| logD: | 4.67 |
| logSw: | -6.39 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 252.01 |
| InChI Key: | KGMYYUXJOOZYAG-UHFFFAOYSA-N |