3,4-difluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4-difluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3,4-difluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1102 |
| Compound Name: | 3,4-difluoro-N-[3-(4-methylpiperazin-1-yl)propyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 587.61 |
| Molecular Formula: | C21 H33 F2 N5 O3 S |
| Salt: | CF3COOH |
| Smiles: | CN1CCN(CCCN(CCC(N2CCNCC2)=O)S(c2ccc(c(c2)F)F)(=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.1784 |
| logD: | -0.6496 |
| logSw: | -2.4187 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.111 |
| InChI Key: | KBGFTOGXEANHKZ-UHFFFAOYSA-N |