3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-2600 |
| Compound Name: | 3-[4-(benzyloxy)-3-methoxyphenyl]-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 489.6 |
| Molecular Formula: | C26 H27 N5 O3 S |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2ccc(c(c2)OC)OCc2ccccc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.3 |
| logD: | 5.14 |
| logSw: | -6.13 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 159.21 |
| InChI Key: | NCODFURZJXNRJA-UHFFFAOYSA-N |