3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-pentylbenzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-pentylbenzamide--trifluoroacetic acid (1/1)
3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-pentylbenzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-0408 |
| Compound Name: | 3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]-N-pentylbenzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 467.43 |
| Molecular Formula: | C18 H25 F2 N3 O2 |
| Salt: | CF3COOH |
| Smiles: | CCCCCN(CC(N1CCNCC1)=O)C(c1ccc(c(c1)F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9348 |
| logD: | 1.3753 |
| logSw: | -2.6958 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.781 |
| InChI Key: | ANKHXJISEBACNT-UHFFFAOYSA-N |