5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0479 |
| Compound Name: | 5-[(5-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.61 |
| Molecular Formula: | C26 H28 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)c1ccc(cc1C(O)=O)NS(c1cc(ccc1C)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4677 |
| logD: | 3.352 |
| logSw: | -5.2164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.926 |
| InChI Key: | DPGXGQIJXGPNSU-IBGZPJMESA-N |