N-[(3-chlorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-[(3-chlorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-1005 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 499.92 |
| Molecular Formula: | C21 H24 Cl N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C(CN(Cc1cccc(c1)[Cl])C(c1ccccc1)=O)C(N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6582 |
| logD: | 0.8303 |
| logSw: | -2.6655 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.509 |
| InChI Key: | UPUDDIXJUYPLJF-UHFFFAOYSA-N |