4-[4-(diphenylmethyl)piperazin-1-yl]-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-[4-(diphenylmethyl)piperazin-1-yl]-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
4-[4-(diphenylmethyl)piperazin-1-yl]-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F292-0233 |
| Compound Name: | 4-[4-(diphenylmethyl)piperazin-1-yl]-3-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 579.59 |
| Molecular Formula: | C25 H27 N3 O4 S |
| Salt: | CF3COOH |
| Smiles: | CS(Nc1cc(ccc1N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5317 |
| logD: | 2.422 |
| logSw: | -4.0852 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.529 |
| InChI Key: | RQORNROHUCQYMO-UHFFFAOYSA-N |