3-[(benzenesulfonyl)amino]-N-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-[(benzenesulfonyl)amino]-N-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
3-[(benzenesulfonyl)amino]-N-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0084 |
| Compound Name: | 3-[(benzenesulfonyl)amino]-N-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(piperazin-1-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 599.63 |
| Molecular Formula: | C24 H31 N5 O4 S |
| Salt: | CF3COOH |
| Smiles: | CN(CC(N1CCCC1)=O)C(c1ccc(c(c1)NS(c1ccccc1)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0096 |
| logD: | 1.0096 |
| logSw: | -2.6228 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.211 |
| InChI Key: | ZQUIGFRLQVGKKL-UHFFFAOYSA-N |