2-[benzyl(butyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(butyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[benzyl(butyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0639 |
| Compound Name: | 2-[benzyl(butyl)amino]-5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 609.66 |
| Molecular Formula: | C27 H33 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1c(cc(cn1)NS(c1ccc(CC(C)C)cc1)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8148 |
| logD: | 5.484 |
| logSw: | -5.4409 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.36 |
| InChI Key: | HRWGCPTUCNCKEP-UHFFFAOYSA-N |