3-[(2-chlorobenzene-1-sulfonyl)amino]-4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(2-chlorobenzene-1-sulfonyl)amino]-4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(2-chlorobenzene-1-sulfonyl)amino]-4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0996 |
| Compound Name: | 3-[(2-chlorobenzene-1-sulfonyl)amino]-4-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.03 |
| Molecular Formula: | C23 H28 Cl N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCN(C1)CC1CCCN(C1)c1ccc(cc1NS(c1ccccc1[Cl])(=O)=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0324 |
| logD: | 4.0324 |
| logSw: | -4.1851 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.782 |
| InChI Key: | DDZQVYMJXVVZPJ-QGZVFWFLSA-N |