2-[benzyl(ethyl)amino]-5-[(5-bromothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(ethyl)amino]-5-[(5-bromothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[benzyl(ethyl)amino]-5-[(5-bromothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0015 |
| Compound Name: | 2-[benzyl(ethyl)amino]-5-[(5-bromothiophene-2-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 610.42 |
| Molecular Formula: | C19 H18 Br N3 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CCN(Cc1ccccc1)c1c(cc(cn1)NS(c1ccc(s1)[Br])(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8031 |
| logD: | 3.4723 |
| logSw: | -4.2388 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.125 |
| InChI Key: | BPZOLOCLHOJJJM-UHFFFAOYSA-N |