N-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
N-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F919-0296 |
| Compound Name: | N-methyl-N-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-4-(piperazin-1-yl)-3-[(thiophene-2-sulfonyl)amino]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 605.65 |
| Molecular Formula: | C22 H29 N5 O4 S2 |
| Salt: | CF3COOH |
| Smiles: | CN(CC(N1CCCC1)=O)C(c1ccc(c(c1)NS(c1cccs1)(=O)=O)N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9576 |
| logD: | 0.9576 |
| logSw: | -2.4529 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.23 |
| InChI Key: | FMTQSEXHFBEPDX-UHFFFAOYSA-N |