5-[(2,4-dimethylbenzene-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-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F293-0473 |
| Compound Name: | 5-[(2,4-dimethylbenzene-1-sulfonyl)amino]-2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxylic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 608.64 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC1CN(CCN1c1cccc(C)c1)c1c(cc(cn1)NS(c1ccc(C)cc1C)(=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.573 |
| logD: | 3.9654 |
| logSw: | -4.9826 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.298 |
| InChI Key: | ZRGDIPHDOVNEMK-FQEVSTJZSA-N |