3-{1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-piperidino-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-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
3-{1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide
Compound characteristics
| Compound ID: | C726-1561 |
| Compound Name: | 3-{1-[2-(4-chlorophenoxy)ethyl]-1H-pyrrol-2-yl}-2-cyano-N~1~-(5-piperidino-1,3,4-thiadiazol-2-yl)acrylamide |
| Molecular Weight: | 482.99 |
| Molecular Formula: | C23 H23 Cl N6 O2 S |
| Smiles: | C1CCN(CC1)c1nnc(NC(C(=C/c2cccn2CCOc2ccc(cc2)[Cl])\C#N)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.34 |
| logD: | 5.31 |
| logSw: | -6.26 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 143.61 |
| InChI Key: | QPYHOZGMZNNUAM-UHFFFAOYSA-N |