2-[(ethanesulfonyl)amino]-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-[(ethanesulfonyl)amino]-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
2-[(ethanesulfonyl)amino]-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0162 |
| Compound Name: | 2-[(ethanesulfonyl)amino]-5-{4-[(2-fluorophenyl)methyl]piperazin-1-yl}benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 535.51 |
| Molecular Formula: | C20 H24 F N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CCS(Nc1ccc(cc1C(O)=O)N1CCN(CC1)Cc1ccccc1F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9393 |
| logD: | -1.2322 |
| logSw: | -3.4769 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.49 |
| InChI Key: | NWFUGEGJJHJQHA-UHFFFAOYSA-N |