5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid
Chemical Structure Depiction of
5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid
5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid
Compound characteristics
| Compound ID: | F294-0992 |
| Compound Name: | 5-{[4-(2-methylpropyl)benzene-1-sulfonyl]amino}-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid |
| Molecular Weight: | 613.7 |
| Molecular Formula: | C27 H37 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)Cc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCCC(CN2CCCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3744 |
| logD: | 5.3744 |
| logSw: | -5.2857 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.48 |
| InChI Key: | WETLILFAFPZXNC-JOCHJYFZSA-N |