3-[(4-methoxybenzene-1-sulfonyl)amino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(4-methoxybenzene-1-sulfonyl)amino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
3-[(4-methoxybenzene-1-sulfonyl)amino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0466 |
| Compound Name: | 3-[(4-methoxybenzene-1-sulfonyl)amino]-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 609.62 |
| Molecular Formula: | C26 H29 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)c1ccc(cc1NS(c1ccc(cc1)OC)(=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.237 |
| logD: | 3.4765 |
| logSw: | -4.8745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.772 |
| InChI Key: | ASJHCPHBWDWYBM-IBGZPJMESA-N |