N-[(3-chlorophenyl)methyl]-3,5-dimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-3,5-dimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-[(3-chlorophenyl)methyl]-3,5-dimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0997 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-3,5-dimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 527.97 |
| Molecular Formula: | C23 H28 Cl N3 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)cc(c1)C(N(CCC(N1CCNCC1)=O)Cc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.5477 |
| logD: | 1.7197 |
| logSw: | -3.5518 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.509 |
| InChI Key: | PVGVPBWVQZWELT-UHFFFAOYSA-N |