N-[(3-chlorophenyl)methyl]-3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-[(3-chlorophenyl)methyl]-3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0985 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-3-methoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 529.94 |
| Molecular Formula: | C22 H26 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | COc1cccc(c1)C(N(CCC(N1CCNCC1)=O)Cc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7414 |
| logD: | 0.9134 |
| logSw: | -2.7465 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.053 |
| InChI Key: | XPTGUSLGMOXJFF-UHFFFAOYSA-N |