2-[benzyl(butyl)amino]-5-[(5-chlorothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(butyl)amino]-5-[(5-chlorothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(butyl)amino]-5-[(5-chlorothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0637 |
| Compound Name: | 2-[benzyl(butyl)amino]-5-[(5-chlorothiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 593.04 |
| Molecular Formula: | C22 H23 Cl N2 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1ccc(s1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0896 |
| logD: | 4.2575 |
| logSw: | -5.5415 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.007 |
| InChI Key: | PMQIMYZHCQLBME-UHFFFAOYSA-N |