3-bromo-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-bromo-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
3-bromo-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-1020 |
| Compound Name: | 3-bromo-N-[(3-methylphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 544.37 |
| Molecular Formula: | C21 H24 Br N3 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(CN(CC(N2CCNCC2)=O)C(c2cccc(c2)[Br])=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.4557 |
| logD: | 1.8962 |
| logSw: | -2.7773 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.531 |
| InChI Key: | LMUFBBQIKPYESX-UHFFFAOYSA-N |