3-[(4-ethylbenzene-1-sulfonyl)amino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-ethylbenzene-1-sulfonyl)amino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(4-ethylbenzene-1-sulfonyl)amino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0476 |
| Compound Name: | 3-[(4-ethylbenzene-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: | CCc1ccc(cc1)S(Nc1cc(ccc1N1CCN(C(C)C1)c1cccc(C)c1)C(O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1853 |
| logD: | 3.4465 |
| logSw: | -5.258 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.229 |
| InChI Key: | IUIHMHWSBGEHLP-FQEVSTJZSA-N |