ethyl 1-[5-(3-chlorobenzamido)-2-(piperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxylate--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
ethyl 1-[5-(3-chlorobenzamido)-2-(piperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxylate--trifluoroacetic acid (1/1)
ethyl 1-[5-(3-chlorobenzamido)-2-(piperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxylate--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L347-0406 |
| Compound Name: | ethyl 1-[5-(3-chlorobenzamido)-2-(piperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxylate--trifluoroacetic acid (1/1) |
| Molecular Weight: | 614.02 |
| Molecular Formula: | C25 H30 Cl N5 O4 |
| Salt: | CF3COOH |
| Smiles: | CCOC(C1CCN(CC1)C(c1cc(cnc1N1CCNCC1)NC(c1cccc(c1)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9112 |
| logD: | 1.4332 |
| logSw: | -3.6036 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.215 |
| InChI Key: | WWQLEFHVPXIYKM-UHFFFAOYSA-N |