N-[(4-fluorophenyl)methyl]-3,4,5-trimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3,4,5-trimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-[(4-fluorophenyl)methyl]-3,4,5-trimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0525 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3,4,5-trimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 573.54 |
| Molecular Formula: | C24 H30 F N3 O5 |
| Salt: | CF3COOH |
| Smiles: | COc1cc(cc(c1OC)OC)C(N(CCC(N1CCNCC1)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 0.852 |
| logD: | 0.024 |
| logSw: | -2.3094 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.487 |
| InChI Key: | JETFVVQOFWODGY-UHFFFAOYSA-N |