2-[benzyl(butyl)amino]-5-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[benzyl(butyl)amino]-5-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[benzyl(butyl)amino]-5-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0651 |
| Compound Name: | 2-[benzyl(butyl)amino]-5-[(4-tert-butylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 608.68 |
| Molecular Formula: | C28 H34 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(Cc1ccccc1)c1ccc(cc1C(O)=O)NS(c1ccc(cc1)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3458 |
| logD: | 5.5137 |
| logSw: | -5.4554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.989 |
| InChI Key: | KMBCIARVEBSHPO-UHFFFAOYSA-N |