4-butoxy-N-[(3-chlorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-butoxy-N-[(3-chlorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-butoxy-N-[(3-chlorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0986 |
| Compound Name: | 4-butoxy-N-[(3-chlorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 572.02 |
| Molecular Formula: | C25 H32 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCOc1ccc(cc1)C(N(CCC(N1CCNCC1)=O)Cc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1956 |
| logD: | 2.3676 |
| logSw: | -3.6242 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.927 |
| InChI Key: | AJRPCHXPKLWVFX-UHFFFAOYSA-N |