N-[(4-fluorophenyl)methyl]-3,4-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3,4-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-[(4-fluorophenyl)methyl]-3,4-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0514 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3,4-dimethoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 543.51 |
| Molecular Formula: | C23 H28 F N3 O4 |
| Salt: | CF3COOH |
| Smiles: | COc1ccc(cc1OC)C(N(CCC(N1CCNCC1)=O)Cc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6771 |
| logD: | -0.1509 |
| logSw: | -2.1041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.77 |
| InChI Key: | LZCOYSPNWHZRST-UHFFFAOYSA-N |