5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(diethylamino)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(diethylamino)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(diethylamino)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0738 |
| Compound Name: | 5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(diethylamino)pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 519.54 |
| Molecular Formula: | C20 H27 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCN(CC)c1c(cc(cn1)NS(c1ccc(cc1)C(C)(C)C)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8781 |
| logD: | 3.2706 |
| logSw: | -4.2493 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.103 |
| InChI Key: | URTDBPRAJDYKEL-UHFFFAOYSA-N |