5-(dimethylsulfamamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-(dimethylsulfamamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-(dimethylsulfamamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0983 |
| Compound Name: | 5-(dimethylsulfamamido)-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 524.56 |
| Molecular Formula: | C19 H30 N4 O4 S |
| Salt: | CF3COOH |
| Smiles: | CN(C)S(Nc1ccc(c(c1)C(O)=O)N1CCCC(CN2CCCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2112 |
| logD: | 2.2112 |
| logSw: | -2.8871 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.172 |
| InChI Key: | HIEGPOZKLWMTTQ-OAHLLOKOSA-N |