2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide
Compound characteristics
| Compound ID: | C355-1118 |
| Compound Name: | 2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{5-[(4-methylphenyl)sulfanyl]-2-furyl}acrylamide |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C20 H18 N4 O4 S3 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(o2)Sc2ccc(C)cc2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.15 |
| logD: | 2.78 |
| logSw: | -6.16 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 237.73 |
| InChI Key: | GIGWDINGXHPDKR-UHFFFAOYSA-N |