3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0990 |
| Compound Name: | 3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 585.64 |
| Molecular Formula: | C25 H33 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1cc(ccc1N1CCCC(CN2CCCC2)C1)C(O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8122 |
| logD: | 4.8122 |
| logSw: | -4.4187 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.782 |
| InChI Key: | ZLHFOUONGUILHC-HXUWFJFHSA-N |