N-[5-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazine-1-carbonyl}-2-(piperazin-1-yl)phenyl]methanesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[5-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazine-1-carbonyl}-2-(piperazin-1-yl)phenyl]methanesulfonamide--trifluoroacetic acid (1/1)
N-[5-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazine-1-carbonyl}-2-(piperazin-1-yl)phenyl]methanesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0166 |
| Compound Name: | N-[5-{4-[2-oxo-2-(pyrrolidin-1-yl)ethyl]piperazine-1-carbonyl}-2-(piperazin-1-yl)phenyl]methanesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 592.64 |
| Molecular Formula: | C22 H34 N6 O4 S |
| Salt: | CF3COOH |
| Smiles: | CS(Nc1cc(ccc1N1CCNCC1)C(N1CCN(CC1)CC(N1CCCC1)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.7806 |
| logD: | -0.7806 |
| logSw: | -2.3063 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.467 |
| InChI Key: | YVTCEZRYWGJCEE-UHFFFAOYSA-N |