N-cycloheptyl-3,5-dimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-cycloheptyl-3,5-dimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
N-cycloheptyl-3,5-dimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0094 |
| Compound Name: | N-cycloheptyl-3,5-dimethyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 499.57 |
| Molecular Formula: | C23 H35 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | Cc1cc(C)cc(c1)C(N(CCC(N1CCNCC1)=O)C1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2364 |
| logD: | 2.4085 |
| logSw: | -3.242 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.085 |
| InChI Key: | NERMEUJVOXPFDO-UHFFFAOYSA-N |