2-(4-benzylpiperidin-1-yl)-5-[(5-chlorothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-benzylpiperidin-1-yl)-5-[(5-chlorothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(4-benzylpiperidin-1-yl)-5-[(5-chlorothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0050 |
| Compound Name: | 2-(4-benzylpiperidin-1-yl)-5-[(5-chlorothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 606.04 |
| Molecular Formula: | C22 H22 Cl N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CN(CCC1Cc1ccccc1)c1c(cc(cn1)NS(c1ccc(s1)[Cl])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9326 |
| logD: | 4.3251 |
| logSw: | -5.8051 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.566 |
| InChI Key: | BLTFNPLTUVLXQE-UHFFFAOYSA-N |