3-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0656 |
| Compound Name: | 3-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 533.02 |
| Molecular Formula: | C23 H21 Cl N4 O5 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2cc(c(c(c2)[Cl])OCc2ccc(C)cc2)OC)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.12 |
| logD: | 2.77 |
| logSw: | -6.29 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 196.14 |
| InChI Key: | HSTJRGLKQPWWSQ-UHFFFAOYSA-N |