3,4-difluoro-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Chemical Structure Depiction of
3,4-difluoro-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
3,4-difluoro-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1)
Compound characteristics
| Compound ID: | F482-1460 |
| Compound Name: | 3,4-difluoro-N-[(3-methylphenyl)methyl]-N-[3-oxo-3-(piperazin-1-yl)propyl]benzene-1-sulfonamide--trifluoroacetic acid (1/1) |
| Molecular Weight: | 551.53 |
| Molecular Formula: | C21 H25 F2 N3 O3 S |
| Salt: | CF3COOH |
| Smiles: | Cc1cccc(CN(CCC(N2CCNCC2)=O)S(c2ccc(c(c2)F)F)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.6264 |
| logD: | 1.7984 |
| logSw: | -2.9527 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.674 |
| InChI Key: | OOEDIHWAJZYKOF-UHFFFAOYSA-N |