2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide
Compound characteristics
| Compound ID: | 3537-5213 |
| Compound Name: | 2-cyano-N~1~-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)acrylamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C23 H22 N4 O2 S2 |
| Smiles: | CCc1nnc(NC(C(=C/c2ccc(cc2)OCCSc2ccc(C)cc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.61 |
| logD: | 3.68 |
| logSw: | -6.17 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 183.49 |
| InChI Key: | RBKLJFRWSGRFKT-UHFFFAOYSA-N |