2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0921 |
| Compound Name: | 2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[3-(isobutylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 419.52 |
| Molecular Formula: | C18 H21 N5 O3 S2 |
| Smiles: | CC(C)CS(c1nc(NC(C(=C/c2ccc(cc2)N(C)C)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.57 |
| logD: | 1.22 |
| logSw: | -4.58 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 196.5 |
| InChI Key: | JDOVCBUXHBRZPH-UHFFFAOYSA-N |