3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,2-dimethylpropanoate
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | C100-0026 |
| Compound Name: | 3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C21 H22 N2 O2 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(C(C)(C)C)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1372 |
| logD: | 5.1372 |
| logSw: | -5.1403 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.55 |
| InChI Key: | FKTYXFMKPAIELC-UHFFFAOYSA-N |