2-[benzyl(ethyl)amino]-5-[(ethanesulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(ethyl)amino]-5-[(ethanesulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[benzyl(ethyl)amino]-5-[(ethanesulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0006 |
| Compound Name: | 2-[benzyl(ethyl)amino]-5-[(ethanesulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 477.46 |
| Molecular Formula: | C17 H21 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(Cc1ccccc1)c1c(cc(cn1)NS(CC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0238 |
| logD: | 1.693 |
| logSw: | -3.3299 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.005 |
| InChI Key: | RXXFNWCUKJWIHI-UHFFFAOYSA-N |