N-{5-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-(piperazin-1-yl)phenyl}methanesulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-{5-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-(piperazin-1-yl)phenyl}methanesulfonamide--trifluoroacetic acid (1/1)
N-{5-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-(piperazin-1-yl)phenyl}methanesulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0158 |
| Compound Name: | N-{5-[4-(3-methylphenyl)piperazine-1-carbonyl]-2-(piperazin-1-yl)phenyl}methanesulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 571.62 |
| Molecular Formula: | C23 H31 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)N1CCN(CC1)C(c1ccc(c(c1)NS(C)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6466 |
| logD: | 1.6466 |
| logSw: | -2.5242 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.429 |
| InChI Key: | NAXXLUQWYWMUST-UHFFFAOYSA-N |