2-[benzyl(butyl)amino]-5-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(butyl)amino]-5-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(butyl)amino]-5-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0636 |
| Compound Name: | 2-[benzyl(butyl)amino]-5-[(thiophene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 558.59 |
| Molecular Formula: | C22 H24 N2 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1cccs1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3143 |
| logD: | 3.4822 |
| logSw: | -5.0582 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.007 |
| InChI Key: | DHRQSXYDDHFNGJ-UHFFFAOYSA-N |