3-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C146-1005 |
| Compound Name: | 3-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 517.97 |
| Molecular Formula: | C21 H16 Cl N5 O5 S2 |
| Smiles: | COc1cc(/C=C(/C#N)C(Nc2nc(ns2)SC)=O)cc(c1OCc1ccc(cc1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.64 |
| logD: | 4.96 |
| logSw: | -6.7 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 263.36 |
| InChI Key: | UVAIHNOUXMUDGV-UHFFFAOYSA-N |