2-(azocan-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-(azocan-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid
2-(azocan-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | F293-0674 |
| Compound Name: | 2-(azocan-1-yl)-5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}pyridine-3-carboxylic acid |
| Molecular Weight: | 545.58 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1cc(C(O)=O)c(nc1)N1CCCCCCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7535 |
| logD: | 4.1459 |
| logSw: | -5.0395 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.15 |
| InChI Key: | PCTKIVVDYBFQEC-UHFFFAOYSA-N |