2-[benzyl(ethyl)amino]-5-[(2,5-difluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(ethyl)amino]-5-[(2,5-difluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[benzyl(ethyl)amino]-5-[(2,5-difluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0030 |
| Compound Name: | 2-[benzyl(ethyl)amino]-5-[(2,5-difluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 561.48 |
| Molecular Formula: | C21 H19 F2 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(Cc1ccccc1)c1c(cc(cn1)NS(c1cc(ccc1F)F)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2051 |
| logD: | 2.8742 |
| logSw: | -4.0191 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.106 |
| InChI Key: | WLGMNJYBTJRATQ-UHFFFAOYSA-N |