5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-1001 |
| Compound Name: | 5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.7 |
| Molecular Formula: | C27 H37 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)(C)c1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCCC(CN2CCCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4884 |
| logD: | 5.4884 |
| logSw: | -5.2117 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.48 |
| InChI Key: | SJGAMVBQBORROV-HXUWFJFHSA-N |