2-cyano-3-{1-[2-(2-methoxyphenoxy)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-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-3183 |
| Compound Name: | 2-cyano-3-{1-[2-(2-methoxyphenoxy)ethyl]-1H-pyrrol-2-yl}-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C25 H28 N6 O3 S |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2cccn2CCOc2ccccc2OC)\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.76 |
| logD: | 4.73 |
| logSw: | -5.31 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 148.74 |
| InChI Key: | ULGKPXZMUCAVKX-UHFFFAOYSA-N |