5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0991 |
| Compound Name: | 5-{[4-(propan-2-yl)benzene-1-sulfonyl]amino}-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 599.67 |
| Molecular Formula: | C26 H35 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)c1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCCC(CN2CCCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0322 |
| logD: | 5.0322 |
| logSw: | -4.5166 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.48 |
| InChI Key: | ZBHDLCRIUYVEHU-HXUWFJFHSA-N |