2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
Compound characteristics
| Compound ID: | C355-1343 |
| Compound Name: | 2-cyano-N~1~-[3-(isopropylsulfonyl)-1,2,4-thiadiazol-5-yl]-3-{3-methoxy-4-[(2-nitrobenzyl)oxy]phenyl}acrylamide |
| Molecular Weight: | 543.58 |
| Molecular Formula: | C23 H21 N5 O7 S2 |
| Smiles: | CC(C)S(c1nc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccccc2[N+]([O-])=O)\C#N)=O)sn1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.99 |
| logD: | 1.63 |
| logSw: | -5.28 |
| Hydrogen bond acceptors count: | 15 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 286.55 |
| InChI Key: | JEHVFCOISXAPKZ-UHFFFAOYSA-N |