N-[(3-ethoxyphenyl)methyl]-3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
N-[(3-ethoxyphenyl)methyl]-3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
N-[(3-ethoxyphenyl)methyl]-3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F915-1060 |
| Compound Name: | N-[(3-ethoxyphenyl)methyl]-3,4-difluoro-N-[2-oxo-2-(piperazin-1-yl)ethyl]benzamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 531.48 |
| Molecular Formula: | C22 H25 F2 N3 O3 |
| Salt: | CF3COOH |
| Smiles: | CCOc1cccc(CN(CC(N2CCNCC2)=O)C(c2ccc(c(c2)F)F)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 1.7795 |
| logD: | 1.22 |
| logSw: | -2.2443 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.655 |
| InChI Key: | NSISWIYMMZIMQV-UHFFFAOYSA-N |