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 | 
 
				 
				