3-[5-(3-chloro-4-methylphenyl)-2-furyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[5-(3-chloro-4-methylphenyl)-2-furyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[5-(3-chloro-4-methylphenyl)-2-furyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-1137 |
| Compound Name: | 3-[5-(3-chloro-4-methylphenyl)-2-furyl]-2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 476.96 |
| Molecular Formula: | C20 H17 Cl N4 O4 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c3ccc(C)c(c3)[Cl])o2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.24 |
| logD: | 2.87 |
| logSw: | -6.21 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 198.41 |
| InChI Key: | IQPIEYUOLKDSML-UHFFFAOYSA-N |