4-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
4-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0349 |
| Compound Name: | 4-bromo-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 544.37 |
| Molecular Formula: | C21 H24 Br N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C(CN(CC(N1CCNCC1)=O)C(c1ccc(cc1)[Br])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1283 |
| logD: | 1.5688 |
| logSw: | -2.7207 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.509 |
| InChI Key: | YPUACYUTLBJNFJ-UHFFFAOYSA-N |