4-[butyl(ethyl)amino]-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[butyl(ethyl)amino]-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[butyl(ethyl)amino]-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0524 |
| Compound Name: | 4-[butyl(ethyl)amino]-3-[(4-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 520.52 |
| Molecular Formula: | C20 H26 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(CC)c1ccc(cc1NS(c1ccc(cc1)OC)(=O)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6091 |
| logD: | 2.8486 |
| logSw: | -4.143 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.831 |
| InChI Key: | MJVMMSOWYYJODA-UHFFFAOYSA-N |