2-[butyl(methyl)amino]-5-[(ethanesulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[butyl(methyl)amino]-5-[(ethanesulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-[butyl(methyl)amino]-5-[(ethanesulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0072 |
| Compound Name: | 2-[butyl(methyl)amino]-5-[(ethanesulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 429.41 |
| Molecular Formula: | C13 H21 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1c(cc(cn1)NS(CC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2372 |
| logD: | 0.6296 |
| logSw: | -2.608 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.47 |
| InChI Key: | MXKUXOUGYUZBGU-UHFFFAOYSA-N |