4-butoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-propylbenzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-butoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-propylbenzamide--trifluoroacetic acid (1/1)
4-butoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-propylbenzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0630 |
| Compound Name: | 4-butoxy-N-[3-oxo-3-(piperazin-1-yl)propyl]-N-propylbenzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 489.53 |
| Molecular Formula: | C21 H33 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCCCOc1ccc(cc1)C(N(CCC)CCC(N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.926 |
| logD: | 1.098 |
| logSw: | -2.3972 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.177 |
| InChI Key: | YHUJBCJPWXZTSB-UHFFFAOYSA-N |