3-(4-chlorophenyl)-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-(4-chlorophenyl)-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-(4-chlorophenyl)-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-5271 |
| Compound Name: | 3-(4-chlorophenyl)-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 378.9 |
| Molecular Formula: | C16 H15 Cl N4 O S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(cc2)[Cl])\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 5.3 |
| logD: | 4.63 |
| logSw: | -6.16 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 171.5 |
| InChI Key: | JVXTZMLVVWELFT-UHFFFAOYSA-N |