1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl acetate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl acetate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl acetate
Compound characteristics
| Compound ID: | C100-0477 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl acetate |
| Molecular Weight: | 304.41 |
| Molecular Formula: | C16 H20 N2 O2 S |
| Smiles: | CC(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.1879 |
| logD: | 3.1879 |
| logSw: | -3.456 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 35.619 |
| InChI Key: | RFYHZROXWJZNCD-UHFFFAOYSA-N |