2-cyano-3-{1-[2-(3-methylphenoxy)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-(3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{1-[2-(3-methylphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-3181 |
| Compound Name: | 2-cyano-3-{1-[2-(3-methylphenoxy)ethyl]-1H-pyrrol-2-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/c2cccn2CCOc2cccc(C)c2)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.57 |
| logD: | 5.54 |
| logSw: | -6.38 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 143 |
| InChI Key: | RFBXILUSSUGEBA-UHFFFAOYSA-N |