2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-{2-[2-(3-methoxyphenoxy)ethoxy]-5-nitrophenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-{2-[2-(3-methoxyphenoxy)ethoxy]-5-nitrophenyl}acrylamide
2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-{2-[2-(3-methoxyphenoxy)ethoxy]-5-nitrophenyl}acrylamide
Compound characteristics
| Compound ID: | 3773-0703 |
| Compound Name: | 2-cyano-N~1~-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-{2-[2-(3-methoxyphenoxy)ethoxy]-5-nitrophenyl}acrylamide |
| Molecular Weight: | 509.54 |
| Molecular Formula: | C24 H23 N5 O6 S |
| Smiles: | CC(C)c1nnc(NC(C(=C/c2cc(ccc2OCCOc2cccc(c2)OC)[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.29 |
| logD: | 3.68 |
| logSw: | -6.37 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 252.83 |
| InChI Key: | XTKMEHWHGQZBNO-UHFFFAOYSA-N |