5-(4-chlorobenzamido)-2-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(4-chlorobenzamido)-2-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-(4-chlorobenzamido)-2-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | G889-0862 |
| Compound Name: | 5-(4-chlorobenzamido)-2-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.02 |
| Molecular Formula: | C25 H32 Cl N3 O4 |
| Salt: | CF3COOH |
| Smiles: | CCOCCCN(C)C1CCN(CC1)c1ccc(cc1C(O)=O)NC(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4002 |
| logD: | 4.4002 |
| logSw: | -4.464 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.712 |
| InChI Key: | PQBFQUHDILKKIC-UHFFFAOYSA-N |