3-(1-benzyl-1H-pyrrol-2-yl)-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-(1-benzyl-1H-pyrrol-2-yl)-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
3-(1-benzyl-1H-pyrrol-2-yl)-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-3195 |
| Compound Name: | 3-(1-benzyl-1H-pyrrol-2-yl)-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 432.55 |
| Molecular Formula: | C23 H24 N6 O S |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2cccn2Cc2ccccc2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.87 |
| logD: | 4.84 |
| logSw: | -5.58 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 138.75 |
| InChI Key: | KOJHFBRTXGONNU-UHFFFAOYSA-N |