2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C356-1212 |
| Compound Name: | 2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(isobutylsulfonyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C18 H21 N5 O3 S2 |
| Smiles: | CC(C)CS(c1nnc(NC(C(=C/c2ccc(cc2)N(C)C)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7 |
| logD: | 1.35 |
| logSw: | -4.82 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 206.01 |
| InChI Key: | GIZAXBIMWZUFAW-UHFFFAOYSA-N |