4-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}-3-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}-3-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}-3-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0706 |
| Compound Name: | 4-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}-3-[(4-methylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 603.66 |
| Molecular Formula: | C25 H35 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOCCCN(C)C1CCN(CC1)c1ccc(cc1NS(c1ccc(C)cc1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3304 |
| logD: | 4.3304 |
| logSw: | -4.0949 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.573 |
| InChI Key: | LNDPHTQLKJVZJP-UHFFFAOYSA-N |