N-butyl-N-methyl-4-(piperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-butyl-N-methyl-4-(piperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-butyl-N-methyl-4-(piperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0536 |
| Compound Name: | N-butyl-N-methyl-4-(piperazin-1-yl)-3-[(2,4,5-trimethylbenzene-1-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 586.67 |
| Molecular Formula: | C25 H36 N4 O3 S |
| Salt: | CF3COOH |
| Smiles: | CCCCN(C)C(c1ccc(c(c1)NS(c1cc(C)c(C)cc1C)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7334 |
| logD: | 3.7334 |
| logSw: | -3.8363 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.703 |
| InChI Key: | DSNDPEGDBVCRBX-UHFFFAOYSA-N |