2-[(2-ethylbenzene-1-sulfonyl)amino]-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(2-ethylbenzene-1-sulfonyl)amino]-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
2-[(2-ethylbenzene-1-sulfonyl)amino]-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0516 |
| Compound Name: | 2-[(2-ethylbenzene-1-sulfonyl)amino]-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 611.61 |
| Molecular Formula: | C26 H28 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCc1ccccc1S(Nc1ccc(cc1C(O)=O)N1CCN(CC1)Cc1ccccc1F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6526 |
| logD: | 0.7678 |
| logSw: | -4.1791 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.591 |
| InChI Key: | KXDRZXRHHBYJGU-UHFFFAOYSA-N |