2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
Chemical Structure Depiction of
2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide
Compound characteristics
Compound ID: | C726-2292 |
Compound Name: | 2-cyano-N~1~-(5-morpholino-1,3,4-thiadiazol-2-yl)-3-{4-[(2-nitrobenzyl)oxy]phenyl}acrylamide |
Molecular Weight: | 492.51 |
Molecular Formula: | C23 H20 N6 O5 S |
Smiles: | C1COCCN1c1nnc(NC(C(=C/c2ccc(cc2)OCc2ccccc2[N+]([O-])=O)\C#N)=O)s1 |
Stereo: | ACHIRAL |
logP: | 3.98 |
logD: | 3.83 |
logSw: | -5.22 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 240.11 |
InChI Key: | IIYKXVZFBUEREI-UHFFFAOYSA-N |