1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl (4-fluorophenyl)acetate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl (4-fluorophenyl)acetate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl (4-fluorophenyl)acetate
Compound characteristics
| Compound ID: | C100-0460 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl (4-fluorophenyl)acetate |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H23 F N2 O2 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(Cc1ccc(cc1)F)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7832 |
| logD: | 4.7832 |
| logSw: | -4.6557 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.651 |
| InChI Key: | HTJGBYQHYKFWIG-UHFFFAOYSA-N |