2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{4-[(4-methylbenzyl)oxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{4-[(4-methylbenzyl)oxy]phenyl}acrylamide
2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{4-[(4-methylbenzyl)oxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C356-0642 |
| Compound Name: | 2-cyano-N~1~-[5-(ethylsulfonyl)-1,3,4-thiadiazol-2-yl]-3-{4-[(4-methylbenzyl)oxy]phenyl}acrylamide |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C22 H20 N4 O4 S2 |
| Smiles: | CCS(c1nnc(NC(C(=C/c2ccc(cc2)OCc2ccc(C)cc2)\C#N)=O)s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.46 |
| logD: | 2.11 |
| logSw: | -5.34 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 207 |
| InChI Key: | DEJCXDDCHDOHIG-UHFFFAOYSA-N |