2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-3207 |
| Compound Name: | 2-cyano-3-{1-[2-(2,4-dimethylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 490.63 |
| Molecular Formula: | C26 H30 N6 O2 S |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2cccn2CCOc2ccc(C)cc2C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 6.14 |
| logD: | 6.11 |
| logSw: | -6.94 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 136.53 |
| InChI Key: | JFGUINVWDNIATI-UHFFFAOYSA-N |