4-tert-butyl-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
4-tert-butyl-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
4-tert-butyl-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F594-0659 |
| Compound Name: | 4-tert-butyl-N-(3-methoxypropyl)-N-[3-oxo-3-(piperazin-1-yl)propyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 503.56 |
| Molecular Formula: | C22 H35 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CC(C)(C)c1ccc(cc1)C(N(CCCOC)CCC(N1CCNCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7503 |
| logD: | 0.9224 |
| logSw: | -1.9728 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.102 |
| InChI Key: | FHYMLAWFKVNKDP-UHFFFAOYSA-N |