3-{3-chloro-4-[(4-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(4-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-chloro-4-[(4-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0419 |
| Compound Name: | 3-{3-chloro-4-[(4-chlorobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 509.39 |
| Molecular Formula: | C20 H14 Cl2 N4 O4 S2 |
| Smiles: | CS(c1nc(NC(C(=C/c2ccc(c(c2)[Cl])OCc2ccc(cc2)[Cl])\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4 |
| logD: | 2.04 |
| logSw: | -5.25 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 198.19 |
| InChI Key: | XQPGWCSABUYEKN-UHFFFAOYSA-N |