3-{1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Chemical Structure Depiction of
3-{1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
3-{1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide
Compound characteristics
| Compound ID: | C726-3191 |
| Compound Name: | 3-{1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-[5-(4-methylpiperidino)-1,3,4-thiadiazol-2-yl]acrylamide |
| Molecular Weight: | 497.02 |
| Molecular Formula: | C24 H25 Cl N6 O2 S |
| Smiles: | CC1CCN(CC1)c1nnc(NC(C(=C/c2cccn2CCOc2ccc(cc2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.67 |
| logD: | 5.64 |
| logSw: | -6.55 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 143.78 |
| InChI Key: | NHNQLHCPEJVTKE-UHFFFAOYSA-N |