N-[(3-chlorophenyl)methyl]-3-(dimethylamino)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-[(3-chlorophenyl)methyl]-3-(dimethylamino)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0987 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-3-(dimethylamino)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 542.99 |
| Molecular Formula: | C23 H29 Cl N4 O2 |
| Salt: | CF3COOH |
| Smiles: | CN(C)c1cccc(c1)C(N(CCC(N1CCNCC1)=O)Cc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9968 |
| logD: | 1.1689 |
| logSw: | -3.088 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.314 |
| InChI Key: | QBETTZADTRRQPH-UHFFFAOYSA-N |