2-[benzyl(butyl)amino]-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(butyl)amino]-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[benzyl(butyl)amino]-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0638 |
| Compound Name: | 2-[benzyl(butyl)amino]-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 595.64 |
| Molecular Formula: | C26 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1c(cc(cn1)NS(c1ccc(cc1)C(C)C)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4726 |
| logD: | 5.1418 |
| logSw: | -5.4376 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.36 |
| InChI Key: | AWWBFTNPKWMERG-UHFFFAOYSA-N |