3-fluoro-4-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
3-fluoro-4-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]benzonitrile
3-fluoro-4-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | F897-0741 |
| Compound Name: | 3-fluoro-4-[4-(1,3,5-trimethyl-1H-pyrazole-4-sulfonyl)piperazine-1-carbonyl]benzonitrile |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C18 H20 F N5 O3 S |
| Smiles: | Cc1c(c(C)n(C)n1)S(N1CCN(CC1)C(c1ccc(C#N)cc1F)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.452 |
| logD: | 0.452 |
| logSw: | -2.3244 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.301 |
| InChI Key: | JKTCIURYWBOQJS-UHFFFAOYSA-N |