N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0222 |
| Compound Name: | N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)-4-(trifluoromethyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 485.43 |
| Molecular Formula: | C18 H24 F3 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CC(C)N(CCC(N1CCNCC1)=O)C(c1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8084 |
| logD: | 0.9804 |
| logSw: | -2.096 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.525 |
| InChI Key: | IDOABIMDHLLAAO-UHFFFAOYSA-N |