1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl benzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl benzoate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl benzoate
Compound characteristics
| Compound ID: | C100-0494 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl benzoate |
| Molecular Weight: | 366.48 |
| Molecular Formula: | C21 H22 N2 O2 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1ccccc1)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6005 |
| logD: | 4.6005 |
| logSw: | -4.5092 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.245 |
| InChI Key: | GHIAYYYODYDFDQ-UHFFFAOYSA-N |