4-chloro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-chloro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
4-chloro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0688 |
| Compound Name: | 4-chloro-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-{3-[(propan-2-yl)oxy]propyl}benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 509.95 |
| Molecular Formula: | C20 H30 Cl N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(C)OCCCN(CCC(N1CCNCC1)=O)C(c1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.0245 |
| logD: | 0.1966 |
| logSw: | -2.7459 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.96 |
| InChI Key: | CWNGNYSRIGHBFV-UHFFFAOYSA-N |