3-[(benzenesulfonyl)amino]-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(benzenesulfonyl)amino]-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(benzenesulfonyl)amino]-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0085 |
| Compound Name: | 3-[(benzenesulfonyl)amino]-N-methyl-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 628.67 |
| Molecular Formula: | C25 H34 N6 O4 S |
| Salt: | CF3COOH |
| Smiles: | CN1CCN(CC1)C(CN(C)C(c1ccc(c(c1)NS(c1ccccc1)(=O)=O)N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0467 |
| logD: | 0.0467 |
| logSw: | -2.6482 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.322 |
| InChI Key: | KROUZSZAOUQAQE-UHFFFAOYSA-N |