5-[(benzenesulfonyl)amino]-2-[bis(2-methylpropyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(benzenesulfonyl)amino]-2-[bis(2-methylpropyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-[(benzenesulfonyl)amino]-2-[bis(2-methylpropyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0562 |
| Compound Name: | 5-[(benzenesulfonyl)amino]-2-[bis(2-methylpropyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 518.55 |
| Molecular Formula: | C21 H28 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(C)C)c1ccc(cc1C(O)=O)NS(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0269 |
| logD: | 2.9112 |
| logSw: | -4.3908 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.282 |
| InChI Key: | GXCGYXMDLCYHNG-UHFFFAOYSA-N |