2-(azocan-1-yl)-5-[(thiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azocan-1-yl)-5-[(thiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azocan-1-yl)-5-[(thiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0668 |
| Compound Name: | 2-(azocan-1-yl)-5-[(thiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 509.52 |
| Molecular Formula: | C17 H21 N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CCC1)c1c(cc(cn1)NS(c1cccs1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1783 |
| logD: | 2.5707 |
| logSw: | -3.8946 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.169 |
| InChI Key: | RERHCSGRLJBFDU-UHFFFAOYSA-N |