4-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0708 |
| Compound Name: | 4-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 527.56 |
| Molecular Formula: | C19 H31 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOCCCN(C)C1CCN(CC1)c1ccc(cc1NS(C)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.223 |
| logD: | 2.223 |
| logSw: | -2.7366 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.79 |
| InChI Key: | MWJSQJLLQOTQPA-UHFFFAOYSA-N |