2-{[2-(dimethylamino)ethyl](ethyl)amino}-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{[2-(dimethylamino)ethyl](ethyl)amino}-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
2-{[2-(dimethylamino)ethyl](ethyl)amino}-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0515 |
| Compound Name: | 2-{[2-(dimethylamino)ethyl](ethyl)amino}-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 548.58 |
| Molecular Formula: | C21 H30 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CCN(C)C)c1c(cc(cn1)NS(c1cc(C)c(C)cc1C)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0164 |
| logD: | 4.0164 |
| logSw: | -3.9111 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.222 |
| InChI Key: | ABMKFIYMUYHNQA-UHFFFAOYSA-N |