N-[(4-bromophenyl)methyl]-3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-[(4-bromophenyl)methyl]-3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-1044 |
| Compound Name: | N-[(4-bromophenyl)methyl]-3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 558.39 |
| Molecular Formula: | C22 H26 Br N3 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(c1)C(N(CCC(N1CCNCC1)=O)Cc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2287 |
| logD: | 1.4008 |
| logSw: | -2.7398 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.509 |
| InChI Key: | LILPGXOJBJLRLW-UHFFFAOYSA-N |