2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-2843 |
| Compound Name: | 2-cyano-3-[1-(2-methoxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 476.6 |
| Molecular Formula: | C25 H28 N6 O2 S |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2cc(C)n(c3ccccc3OC)c2C)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.68 |
| logD: | 4.64 |
| logSw: | -5.46 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 141.58 |
| InChI Key: | QDQSLWWTPRNCFW-UHFFFAOYSA-N |