N-[5-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-2-(piperazin-1-yl)phenyl]methanesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[5-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-2-(piperazin-1-yl)phenyl]methanesulfonamide--trifluoroacetic acid (1/1)
N-[5-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-2-(piperazin-1-yl)phenyl]methanesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0181 |
| Compound Name: | N-[5-{4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl}-2-(piperazin-1-yl)phenyl]methanesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 589.61 |
| Molecular Formula: | C23 H30 F N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CS(Nc1cc(ccc1N1CCNCC1)C(N1CCN(CC1)Cc1ccccc1F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1795 |
| logD: | 1.1795 |
| logSw: | -2.553 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.709 |
| InChI Key: | VVWDLGFFUIUABW-UHFFFAOYSA-N |