5-[(3,4-difluorobenzene-1-sulfonyl)amino]-2-{[2-(dimethylamino)ethyl](ethyl)amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3,4-difluorobenzene-1-sulfonyl)amino]-2-{[2-(dimethylamino)ethyl](ethyl)amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(3,4-difluorobenzene-1-sulfonyl)amino]-2-{[2-(dimethylamino)ethyl](ethyl)amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0512 |
| Compound Name: | 5-[(3,4-difluorobenzene-1-sulfonyl)amino]-2-{[2-(dimethylamino)ethyl](ethyl)amino}pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 542.48 |
| Molecular Formula: | C18 H22 F2 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CCN(C)C)c1c(cc(cn1)NS(c1ccc(c(c1)F)F)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9452 |
| logD: | 2.9452 |
| logSw: | -3.3297 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.222 |
| InChI Key: | JQELYAGYBCWCHB-UHFFFAOYSA-N |