2-[bis(2-methylpropyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[bis(2-methylpropyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[bis(2-methylpropyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0584 |
| Compound Name: | 2-[bis(2-methylpropyl)amino]-5-[(4-ethoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 562.6 |
| Molecular Formula: | C23 H32 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N(CC(C)C)CC(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5809 |
| logD: | 3.4652 |
| logSw: | -5.2892 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.406 |
| InChI Key: | VMKDNGAWZKCWHZ-UHFFFAOYSA-N |