5-[(2-methylbenzene-1-sulfonyl)amino]-2-{4-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-[(2-methylbenzene-1-sulfonyl)amino]-2-{4-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
5-[(2-methylbenzene-1-sulfonyl)amino]-2-{4-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F294-0904 |
| Compound Name: | 5-[(2-methylbenzene-1-sulfonyl)amino]-2-{4-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 601.64 |
| Molecular Formula: | C25 H33 N3 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccccc1S(Nc1ccc(c(c1)C(O)=O)N1CCC(CCN2CCOCC2)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8851 |
| logD: | 1.7694 |
| logSw: | -3.8988 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.067 |
| InChI Key: | KLOVFLGQSYBVLM-UHFFFAOYSA-N |