5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[bis(2-methylpropyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[bis(2-methylpropyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[bis(2-methylpropyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0594 |
| Compound Name: | 5-[(4-acetylbenzene-1-sulfonyl)amino]-2-[bis(2-methylpropyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 560.59 |
| Molecular Formula: | C23 H30 N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(C)C)c1ccc(cc1C(O)=O)NS(c1ccc(cc1)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.754 |
| logD: | 2.6384 |
| logSw: | -4.2792 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.109 |
| InChI Key: | ZGBXVBBGECAWIZ-UHFFFAOYSA-N |