5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(morpholin-4-yl)benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(morpholin-4-yl)benzoic acid--trifluoroacetic acid (1/1)
5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(morpholin-4-yl)benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0780 |
| Compound Name: | 5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-(morpholin-4-yl)benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 532.53 |
| Molecular Formula: | C21 H26 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)(C)c1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCOCC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4017 |
| logD: | 2.286 |
| logSw: | -3.9862 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.356 |
| InChI Key: | XCIGTMLLZNMDOW-UHFFFAOYSA-N |