5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0105 |
| Compound Name: | 5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[butyl(methyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 518.51 |
| Molecular Formula: | C20 H24 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)c1ccc(cc1C(O)=O)NS(c1ccc(cc1)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3675 |
| logD: | 1.2519 |
| logSw: | -3.6841 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.026 |
| InChI Key: | RHMGTUNAWMGVOO-UHFFFAOYSA-N |