2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(3-methylbenzyl)oxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(3-methylbenzyl)oxy]phenyl}acrylamide
2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(3-methylbenzyl)oxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C355-0641 |
| Compound Name: | 2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{4-[(3-methylbenzyl)oxy]phenyl}acrylamide |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C22 H20 N4 O4 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(cc2)OCc2cccc(C)c2)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.61 |
| logD: | 2.26 |
| logSw: | -5.51 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 191.57 |
| InChI Key: | RVHZZSBXFNJEKR-UHFFFAOYSA-N |