3-chloro-N-cycloheptyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-chloro-N-cycloheptyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
3-chloro-N-cycloheptyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0091 |
| Compound Name: | 3-chloro-N-cycloheptyl-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 505.96 |
| Molecular Formula: | C21 H30 Cl N3 O2 |
| Salt: | CF3COOH |
| Smiles: | C1CCCC(CC1)N(CCC(N1CCNCC1)=O)C(c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0307 |
| logD: | 2.2028 |
| logSw: | -3.6396 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.085 |
| InChI Key: | ADFLGLLKYNORKQ-UHFFFAOYSA-N |