4-(morpholin-4-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-(morpholin-4-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-(morpholin-4-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0782 |
| Compound Name: | 4-(morpholin-4-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 518.51 |
| Molecular Formula: | C20 H24 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)c(cc1C)S(Nc1cc(ccc1N1CCOCC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1347 |
| logD: | 0.6941 |
| logSw: | -3.9739 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.658 |
| InChI Key: | XUDCOLIVHYXAIZ-UHFFFAOYSA-N |