2-[butyl(ethyl)amino]-5-[(methanesulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(ethyl)amino]-5-[(methanesulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[butyl(ethyl)amino]-5-[(methanesulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F293-0529 |
Compound Name: | 2-[butyl(ethyl)amino]-5-[(methanesulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 429.41 |
Molecular Formula: | C13 H21 N3 O4 S |
Salt: | CF3COOH |
Smiles: | CCCCN(CC)c1c(cc(cn1)NS(C)(=O)=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 2.2632 |
logD: | 0.6556 |
logSw: | -2.5916 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 82.574 |
InChI Key: | DNMPYEVNDBCDCG-UHFFFAOYSA-N |