N-[(4-bromophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
N-[(4-bromophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
Compound ID: | F915-1045 |
Compound Name: | N-[(4-bromophenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
Molecular Weight: | 530.34 |
Molecular Formula: | C20 H22 Br N3 O2 |
Salt: | CF3COOH |
Smiles: | C1CN(CCN1)C(CN(Cc1ccc(cc1)[Br])C(c1ccccc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.7731 |
logD: | 1.2136 |
logSw: | -2.1575 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 44.531 |
InChI Key: | GHXZQTDQKVDWLY-UHFFFAOYSA-N |