2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(1-naphthylsulfanyl)-2-furyl]acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(1-naphthylsulfanyl)-2-furyl]acrylamide
2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(1-naphthylsulfanyl)-2-furyl]acrylamide
Compound characteristics
| Compound ID: | C508-0461 |
| Compound Name: | 2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]-3-[5-(1-naphthylsulfanyl)-2-furyl]acrylamide |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C24 H20 N4 O2 S3 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(o2)Sc2cccc3ccccc23)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 7.35 |
| logD: | 6.66 |
| logSw: | -7.94 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 208.93 |
| InChI Key: | PWMQYPSWUSXJQT-UHFFFAOYSA-N |