2-(4-{3-[(benzenesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazin-1-yl)-N,N-dimethylacetamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
2-(4-{3-[(benzenesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazin-1-yl)-N,N-dimethylacetamide--trifluoroacetic acid (1/1)
2-(4-{3-[(benzenesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazin-1-yl)-N,N-dimethylacetamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0086 |
| Compound Name: | 2-(4-{3-[(benzenesulfonyl)amino]-4-(piperazin-1-yl)benzoyl}piperazin-1-yl)-N,N-dimethylacetamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 628.67 |
| Molecular Formula: | C25 H34 N6 O4 S |
| Salt: | CF3COOH |
| Smiles: | CN(C)C(CN1CCN(CC1)C(c1ccc(c(c1)NS(c1ccccc1)(=O)=O)N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.2152 |
| logD: | -0.2152 |
| logSw: | -2.5911 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.236 |
| InChI Key: | UGHPETWPJIFXIU-UHFFFAOYSA-N |