3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-5270 |
| Compound Name: | 3-(1,3-benzodioxol-5-yl)-2-cyano-N~1~-[3-(isobutylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 388.47 |
| Molecular Formula: | C17 H16 N4 O3 S2 |
| Smiles: | CC(C)CSc1nc(NC(C(=C/c2ccc3c(c2)OCO3)\C#N)=O)sn1 |
| Stereo: | ACHIRAL |
| logP: | 4.61 |
| logD: | 3.93 |
| logSw: | -5.1 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 212.33 |
| InChI Key: | QEKUCJRQZGWORR-UHFFFAOYSA-N |