2-[bis(2-methylpropyl)amino]-5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[bis(2-methylpropyl)amino]-5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-[bis(2-methylpropyl)amino]-5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0577 |
| Compound Name: | 2-[bis(2-methylpropyl)amino]-5-[(5-chloro-2-methoxybenzene-1-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 583.02 |
| Molecular Formula: | C22 H29 Cl N2 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CN(CC(C)C)c1ccc(cc1C(O)=O)NS(c1cc(ccc1OC)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4972 |
| logD: | 3.3815 |
| logSw: | -5.5434 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.912 |
| InChI Key: | SUZPDPCHLLEYDN-UHFFFAOYSA-N |