3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F295-0970 |
| Compound Name: | 3-[(3,4-dimethylbenzene-1-sulfonyl)amino]-4-{4-[2-(piperidin-1-yl)ethyl]piperidin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 613.7 |
| Molecular Formula: | C27 H37 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1C)S(Nc1cc(ccc1N1CCC(CCN2CCCCC2)CC1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9472 |
| logD: | 5.9472 |
| logSw: | -5.2212 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.461 |
| InChI Key: | DBRTXDMMPGZZQS-UHFFFAOYSA-N |