2-[butyl(methyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(methyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[butyl(methyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0088 |
| Compound Name: | 2-[butyl(methyl)amino]-5-[(3-chloro-4-methoxybenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 541.93 |
| Molecular Formula: | C18 H22 Cl N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1c(cc(cn1)NS(c1ccc(c(c1)[Cl])OC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5115 |
| logD: | 1.9039 |
| logSw: | -3.7246 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.202 |
| InChI Key: | PVNRKDYOPLTYBV-UHFFFAOYSA-N |