2-cyano-3-(4-fluorophenyl)-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-fluorophenyl)-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(4-fluorophenyl)-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-5261 |
| Compound Name: | 2-cyano-3-(4-fluorophenyl)-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 362.45 |
| Molecular Formula: | C16 H15 F N4 O S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(cc2)F)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.74 |
| logD: | 4.07 |
| logSw: | -5.41 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 172.98 |
| InChI Key: | MHHVWICCFWBLGG-UHFFFAOYSA-N |