2-cyano-3-[4-(diethylamino)phenyl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[4-(diethylamino)phenyl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[4-(diethylamino)phenyl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0121 |
| Compound Name: | 2-cyano-3-[4-(diethylamino)phenyl]-N~1~-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C23 H23 N5 O2 S |
| Smiles: | CCN(CC)c1ccc(/C=C(/C#N)C(Nc2nnc(COc3ccccc3)s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.86 |
| logD: | 2.64 |
| logSw: | -5.46 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 144.15 |
| InChI Key: | SSKOJPBRYLZIAK-UHFFFAOYSA-N |