2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(1-naphthyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(1-naphthyl)acrylamide
2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(1-naphthyl)acrylamide
Compound characteristics
| Compound ID: | C356-1204 |
| Compound Name: | 2-cyano-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-(1-naphthyl)acrylamide |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C20 H18 N4 O3 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2cccc3ccccc23)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.62 |
| logD: | 1.86 |
| logSw: | -5.36 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 202.86 |
| InChI Key: | FLASSUWFSJWKBC-UHFFFAOYSA-N |