2-[bis(2-methylpropyl)amino]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[bis(2-methylpropyl)amino]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[bis(2-methylpropyl)amino]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0580 |
| Compound Name: | 2-[bis(2-methylpropyl)amino]-5-[(4-ethylbenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 546.61 |
| Molecular Formula: | C23 H32 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N(CC(C)C)CC(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1426 |
| logD: | 4.0269 |
| logSw: | -5.3235 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.282 |
| InChI Key: | JJCUWARQHVHKIF-UHFFFAOYSA-N |