3-methyl-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-methyl-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3-methyl-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-1019 |
| Compound Name: | 3-methyl-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 493.53 |
| Molecular Formula: | C23 H29 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(CN(CCC(N2CCNCC2)=O)C(c2cccc(C)c2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.0414 |
| logD: | 1.2135 |
| logSw: | -2.6562 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.509 |
| InChI Key: | PXYRHIAYJCBNOD-UHFFFAOYSA-N |