6-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}-5-[(4-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
6-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}-5-[(4-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
6-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}-5-[(4-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F296-0701 |
| Compound Name: | 6-{4-[(3-ethoxypropyl)(methyl)amino]piperidin-1-yl}-5-[(4-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 608.61 |
| Molecular Formula: | C23 H31 F N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOCCCN(C)C1CCN(CC1)c1c(cc(cn1)C(O)=O)NS(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2743 |
| logD: | 3.2743 |
| logSw: | -3.4086 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.944 |
| InChI Key: | DOIZMNHWQUAJKY-UHFFFAOYSA-N |