5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0550 |
| Compound Name: | 5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-[butyl(ethyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 547.59 |
| Molecular Formula: | C22 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1c(cc(cn1)NS(c1ccc(cc1)C(C)(C)C)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8947 |
| logD: | 4.2871 |
| logSw: | -5.21 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.356 |
| InChI Key: | JVUCTPFRGNDNRE-UHFFFAOYSA-N |