2-[bis(2-methylpropyl)amino]-5-[(2,5-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[bis(2-methylpropyl)amino]-5-[(2,5-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[bis(2-methylpropyl)amino]-5-[(2,5-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0586 |
| Compound Name: | 2-[bis(2-methylpropyl)amino]-5-[(2,5-difluorobenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 554.53 |
| Molecular Formula: | C21 H26 F2 N2 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(C)C)c1ccc(cc1C(O)=O)NS(c1cc(ccc1F)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2991 |
| logD: | 3.1835 |
| logSw: | -5.1705 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.282 |
| InChI Key: | CQNPPADQPYWNJY-UHFFFAOYSA-N |