3-{3-chloro-4-[(2-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Chemical Structure Depiction of
3-{3-chloro-4-[(2-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
3-{3-chloro-4-[(2-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide
Compound characteristics
| Compound ID: | C355-0828 |
| Compound Name: | 3-{3-chloro-4-[(2-nitrobenzyl)oxy]phenyl}-2-cyano-N~1~-[3-(ethylsulfonyl)-1,2,4-thiadiazol-5-yl]acrylamide |
| Molecular Weight: | 533.97 |
| Molecular Formula: | C21 H16 Cl N5 O6 S2 |
| Smiles: | CCS(c1nc(NC(C(=C/c2ccc(c(c2)[Cl])OCc2ccccc2[N+]([O-])=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.35 |
| logD: | 2 |
| logSw: | -5.16 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 263.56 |
| InChI Key: | YXZCAUVTAOKHNI-UHFFFAOYSA-N |