5-[(4-methoxybenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(4-methoxybenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-[(4-methoxybenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0979 |
| Compound Name: | 5-[(4-methoxybenzene-1-sulfonyl)amino]-2-{3-[(pyrrolidin-1-yl)methyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.61 |
| Molecular Formula: | C24 H31 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1)S(Nc1ccc(c(c1)C(O)=O)N1CCCC(CN2CCCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6764 |
| logD: | 3.6764 |
| logSw: | -4.0089 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.023 |
| InChI Key: | AAUFPEKMDOIUSK-GOSISDBHSA-N |