5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(dimethylamino)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(dimethylamino)benzoic acid--trifluoroacetic acid (1/1)
5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(dimethylamino)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0819 |
| Compound Name: | 5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(dimethylamino)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 490.5 |
| Molecular Formula: | C19 H24 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)(C)c1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8617 |
| logD: | 2.7461 |
| logSw: | -4.3126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.8 |
| InChI Key: | QVQOVVZWGYXLPL-UHFFFAOYSA-N |