N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-4-fluoro-N-(2-methylpropyl)benzene-1-sulfonamide
Chemical Structure Depiction of
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-4-fluoro-N-(2-methylpropyl)benzene-1-sulfonamide
N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-4-fluoro-N-(2-methylpropyl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | V001-5917 |
| Compound Name: | N-{[5-(4-ethylpiperazin-1-yl)-1-(3-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]methyl}-4-fluoro-N-(2-methylpropyl)benzene-1-sulfonamide |
| Molecular Weight: | 531.67 |
| Molecular Formula: | C27 H35 F2 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCN1CCN(CC1)c1c(CN(CC(C)C)S(c2ccc(cc2)F)(=O)=O)c(C)nn1c1cccc(c1)F |
| Stereo: | ACHIRAL |
| logP: | 5.1823 |
| logD: | 3.1136 |
| logSw: | -5.1262 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.827 |
| InChI Key: | FMRAZPFNUMATDF-UHFFFAOYSA-N |