3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0931 |
| Compound Name: | 3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 512.61 |
| Molecular Formula: | C24 H24 N4 O5 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccccc2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.62 |
| logD: | 2.27 |
| logSw: | -5.27 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 213.01 |
| InChI Key: | MELKVILAZYEKCV-UHFFFAOYSA-N |