1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3-fluorobenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3-fluorobenzoate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3-fluorobenzoate
Compound characteristics
| Compound ID: | C100-0505 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 3-fluorobenzoate |
| Molecular Weight: | 384.47 |
| Molecular Formula: | C21 H21 F N2 O2 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1cccc(c1)F)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7081 |
| logD: | 4.7081 |
| logSw: | -4.6249 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.245 |
| InChI Key: | RNJKCERVBHRMJB-UHFFFAOYSA-N |