N-[(3-chlorophenyl)methyl]-4-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-[(3-chlorophenyl)methyl]-4-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-1010 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 513.94 |
| Molecular Formula: | C22 H26 Cl N3 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1ccc(cc1)C(N(CCC(N1CCNCC1)=O)Cc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.1867 |
| logD: | 1.3587 |
| logSw: | -3.414 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.509 |
| InChI Key: | RBULQMYVOUDTAW-UHFFFAOYSA-N |