N-(2-methylpropyl)-2-(piperazin-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-(2-methylpropyl)-2-(piperazin-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-(2-methylpropyl)-2-(piperazin-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | L268-0681 |
| Compound Name: | N-(2-methylpropyl)-2-(piperazin-1-yl)-5-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 572.65 |
| Molecular Formula: | C24 H34 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CC(C)CNC(c1cc(ccc1N1CCNCC1)NS(c1cc(C)c(C)cc1C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.187 |
| logD: | 2.7114 |
| logSw: | -4.1165 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.685 |
| InChI Key: | LEJZODTUJAOEIW-UHFFFAOYSA-N |