2-[bis(2-methylpropyl)amino]-5-[(4-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[bis(2-methylpropyl)amino]-5-[(4-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[bis(2-methylpropyl)amino]-5-[(4-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F293-0558 |
Compound Name: | 2-[bis(2-methylpropyl)amino]-5-[(4-fluorobenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
Molecular Weight: | 537.53 |
Molecular Formula: | C20 H26 F N3 O4 S |
Salt: | CF3COOH |
Smiles: | CC(C)CN(CC(C)C)c1c(cc(cn1)NS(c1ccc(cc1)F)(=O)=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 4.9039 |
logD: | 3.2963 |
logSw: | -4.2888 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 81.653 |
InChI Key: | JXOADFYVPYRDBB-UHFFFAOYSA-N |