2-cyano-3-{4-[(2-nitrobenzyl)oxy]phenyl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
2-cyano-3-{4-[(2-nitrobenzyl)oxy]phenyl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
2-cyano-3-{4-[(2-nitrobenzyl)oxy]phenyl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1477 |
| Compound Name: | 2-cyano-3-{4-[(2-nitrobenzyl)oxy]phenyl}-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 490.54 |
| Molecular Formula: | C24 H22 N6 O4 S |
| Smiles: | C1CCN(CC1)c1nnc(NC(C(=C/c2ccc(cc2)OCc2ccccc2[N+]([O-])=O)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.14 |
| logD: | 4.99 |
| logSw: | -6.17 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 223.11 |
| InChI Key: | VSBLZQBMUBAWEB-UHFFFAOYSA-N |