5-[(3-methylbenzene-1-sulfonyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(3-methylbenzene-1-sulfonyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(3-methylbenzene-1-sulfonyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0480 |
| Compound Name: | 5-[(3-methylbenzene-1-sulfonyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 594.61 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)c1c(cc(cn1)NS(c1cccc(C)c1)(=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0222 |
| logD: | 3.4146 |
| logSw: | -4.2412 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.298 |
| InChI Key: | LIZUGEFEXFCHNV-IBGZPJMESA-N |