3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0472 |
| Compound Name: | 3-[(2,5-dimethylbenzene-1-sulfonyl)amino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 607.65 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)c1ccc(cc1NS(c1cc(C)ccc1C)(=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0203 |
| logD: | 2.5798 |
| logSw: | -5.2435 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.229 |
| InChI Key: | DPQXEFHSWWWRSJ-NRFANRHFSA-N |