4-butoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-butoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
4-butoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0335 |
| Compound Name: | 4-butoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-(2-phenylethyl)benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 551.61 |
| Molecular Formula: | C26 H35 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCOc1ccc(cc1)C(N(CCC(N1CCNCC1)=O)CCc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7568 |
| logD: | 1.9289 |
| logSw: | -3.1054 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.905 |
| InChI Key: | RDVNPHGJNNNEEA-UHFFFAOYSA-N |