4-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0041 |
| Compound Name: | 4-chloro-N-[(2-methoxyphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 529.94 |
| Molecular Formula: | C22 H26 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | COc1ccccc1CN(CCC(N1CCNCC1)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9405 |
| logD: | 1.1125 |
| logSw: | -2.9242 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.14 |
| InChI Key: | NLNSACBETSDFCK-UHFFFAOYSA-N |