3-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0820 |
| Compound Name: | 3-bromo-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-[3-(pyrrolidin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 565.43 |
| Molecular Formula: | C21 H31 Br N4 O2 |
| Salt: | CF3COOH |
| Smiles: | C1CCN(C1)CCCN(CCC(N1CCNCC1)=O)C(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0483 |
| logD: | -1.6515 |
| logSw: | -1.9476 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.836 |
| InChI Key: | PHSUKDYUPREYOT-UHFFFAOYSA-N |