3,4-difluoro-N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4-difluoro-N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3,4-difluoro-N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-0710 |
| Compound Name: | 3,4-difluoro-N-[(4-fluorophenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 555.49 |
| Molecular Formula: | C20 H22 F3 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | C(CN(Cc1ccc(cc1)F)S(c1ccc(c(c1)F)F)(=O)=O)C(N1CCNCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0088 |
| logD: | 1.1809 |
| logSw: | -2.8634 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.674 |
| InChI Key: | GRASNDZWQFKGSA-UHFFFAOYSA-N |