N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
Chemical Structure Depiction of
N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
Compound characteristics
| Compound ID: | 4011-0580 |
| Compound Name: | N~1~-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-cyano-3-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide |
| Molecular Weight: | 533.07 |
| Molecular Formula: | C27 H21 Cl N4 O2 S2 |
| Smiles: | Cc1ccc(cc1)SCCOc1ccc(/C=C(/C#N)C(Nc2nnc(c3ccccc3[Cl])s2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 7.15 |
| logD: | 6.67 |
| logSw: | -7.67 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 175.15 |
| InChI Key: | SOBWROJDNKFUMB-UHFFFAOYSA-N |