3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Chemical Structure Depiction of
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1494 |
| Compound Name: | 3-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 489.55 |
| Molecular Formula: | C25 H23 N5 O4 S |
| Smiles: | C1CCN(CC1)c1nnc(NC(C(=C/c2ccc(cc2)OCc2ccc3c(c2)OCO3)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.16 |
| logD: | 5.01 |
| logSw: | -6.42 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 186.66 |
| InChI Key: | OUQCQPMJBQFKGQ-UHFFFAOYSA-N |