2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | 4011-0671 |
| Compound Name: | 2-cyano-3-(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)-N~1~-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 542.68 |
| Molecular Formula: | C29 H26 N4 O3 S2 |
| Smiles: | Cc1ccc(cc1)c1nnc(NC(C(=C/c2ccc(c(c2)OC)OCCSc2ccc(C)cc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.82 |
| logD: | 6.73 |
| logSw: | -7.79 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 187.7 |
| InChI Key: | NARABSFCHFNTTR-UHFFFAOYSA-N |