3-[(3-methylbenzene-1-sulfonyl)amino]-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3-methylbenzene-1-sulfonyl)amino]-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(3-methylbenzene-1-sulfonyl)amino]-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0677 |
| Compound Name: | 3-[(3-methylbenzene-1-sulfonyl)amino]-4-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 600.61 |
| Molecular Formula: | C24 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)S(Nc1cc(ccc1N1CCN(CC1)CC(N1CCCC1)=O)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9345 |
| logD: | 0.1958 |
| logSw: | -3.3387 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.049 |
| InChI Key: | BEIOXKRCQWDJKN-UHFFFAOYSA-N |