2-(azocan-1-yl)-5-[(5-bromothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(azocan-1-yl)-5-[(5-bromothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-(azocan-1-yl)-5-[(5-bromothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0669 |
| Compound Name: | 2-(azocan-1-yl)-5-[(5-bromothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.42 |
| Molecular Formula: | C17 H20 Br N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | C1CCCN(CCC1)c1c(cc(cn1)NS(c1ccc(s1)[Br])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1005 |
| logD: | 3.4929 |
| logSw: | -4.6229 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.169 |
| InChI Key: | ZHFOTIPSBQLBGM-UHFFFAOYSA-N |