5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F684-0214 |
| Compound Name: | 5-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}-2-[(methanesulfonyl)amino]benzoic acid--trifluoroacetic acid (1/1) |
| Molecular Weight: | 552.57 |
| Molecular Formula: | C20 H30 N4 O5 S |
| Salt: | CF3COOH |
| Smiles: | CS(Nc1ccc(cc1C(O)=O)N1CCN(CC1)CC(N1CCCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0719 |
| logD: | -3.0996 |
| logSw: | -2.4249 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.532 |
| InChI Key: | HFMPWSCBPMXPRY-UHFFFAOYSA-N |