3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0203 |
| Compound Name: | 3-methyl-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(propan-2-yl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 431.45 |
| Molecular Formula: | C18 H27 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CC(C)N(CCC(N1CCNCC1)=O)C(c1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2226 |
| logD: | 0.3947 |
| logSw: | -1.9836 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.525 |
| InChI Key: | QBTMNLNXFXRUFF-UHFFFAOYSA-N |