2-[benzyl(ethyl)amino]-5-[(4-tert-butylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(ethyl)amino]-5-[(4-tert-butylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[benzyl(ethyl)amino]-5-[(4-tert-butylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0032 |
| Compound Name: | 2-[benzyl(ethyl)amino]-5-[(4-tert-butylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 581.61 |
| Molecular Formula: | C25 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(Cc1ccccc1)c1c(cc(cn1)NS(c1ccc(cc1)C(C)(C)C)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9124 |
| logD: | 4.5815 |
| logSw: | -5.2252 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.106 |
| InChI Key: | UPJODULZTRUTKJ-UHFFFAOYSA-N |