2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-5278 |
| Compound Name: | 2-cyano-3-(4-hydroxy-3-methoxyphenyl)-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C17 H18 N4 O3 S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc(c(c2)OC)O)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 3.89 |
| logD: | 3.22 |
| logSw: | -4.58 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 222.72 |
| InChI Key: | FPGXCJYGZBSTFL-UHFFFAOYSA-N |