N-[(4-bromophenyl)methyl]-4-ethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-4-ethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-[(4-bromophenyl)methyl]-4-ethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-1045 |
| Compound Name: | N-[(4-bromophenyl)methyl]-4-ethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 588.42 |
| Molecular Formula: | C23 H28 Br N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCOc1ccc(cc1)C(N(CCC(N1CCNCC1)=O)Cc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3107 |
| logD: | 1.4827 |
| logSw: | -2.6677 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.633 |
| InChI Key: | JJVCYLPGQORLJE-UHFFFAOYSA-N |