5-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-(morpholin-4-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-(morpholin-4-yl)benzoic acid--trifluoroacetic acid (1/1)
5-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-(morpholin-4-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0787 |
| Compound Name: | 5-[(3,5-dimethylbenzene-1-sulfonyl)amino]-2-(morpholin-4-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 504.48 |
| Molecular Formula: | C19 H22 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)cc(c1)S(Nc1ccc(c(c1)C(O)=O)N1CCOCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3602 |
| logD: | 1.2445 |
| logSw: | -3.6715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.356 |
| InChI Key: | GQBMJNCMBBGJOI-UHFFFAOYSA-N |