N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-1044 |
| Compound Name: | N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 590.39 |
| Molecular Formula: | C22 H26 Br N3 O4 |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1OC)C(N(CC(N1CCNCC1)=O)Cc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.4184 |
| logD: | 0.8589 |
| logSw: | -2.2723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.792 |
| InChI Key: | NXLIZIOHQNFXCI-UHFFFAOYSA-N |