2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0071 |
| Compound Name: | 2-cyano-3-[4-(dimethylamino)phenyl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 405.48 |
| Molecular Formula: | C21 H19 N5 O2 S |
| Smiles: | CN(C)c1ccc(/C=C(/C#N)C(Nc2nnc(COc3ccccc3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.14 |
| logD: | 1.92 |
| logSw: | -4.76 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 147.65 |
| InChI Key: | WAJLNOLNGRKGMI-UHFFFAOYSA-N |