2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0988 |
| Compound Name: | 2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}-5-[(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.68 |
| Molecular Formula: | C27 H35 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | C1CCc2cc(ccc2C1)S(Nc1ccc(c(c1)C(O)=O)N1CCCC(CN2CCCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9389 |
| logD: | 4.9389 |
| logSw: | -4.5347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.4 |
| InChI Key: | QALWCOASOUDDCS-HXUWFJFHSA-N |