4-chloro-N-[(2-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-chloro-N-[(2-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
4-chloro-N-[(2-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0039 |
| Compound Name: | 4-chloro-N-[(2-methoxyphenyl)methyl]-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 515.92 |
| Molecular Formula: | C21 H24 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | COc1ccccc1CN(CC(N1CCNCC1)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.8769 |
| logD: | 1.3174 |
| logSw: | -2.9069 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.161 |
| InChI Key: | UQJBXKAXUKYTOP-UHFFFAOYSA-N |