3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl butanoate
					Chemical Structure Depiction of
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl butanoate
			3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl butanoate
Compound characteristics
| Compound ID: | C100-0027 | 
| Compound Name: | 3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl butanoate | 
| Molecular Weight: | 352.45 | 
| Molecular Formula: | C20 H20 N2 O2 S | 
| Smiles: | CCCC(=O)Oc1c(c(C)nn1c1ccccc1)Sc1ccccc1 | 
| Stereo: | ACHIRAL | 
| logP: | 4.6614 | 
| logD: | 4.6614 | 
| logSw: | -4.4622 | 
| Hydrogen bond acceptors count: | 5 | 
| Polar surface area: | 33.955 | 
| InChI Key: | GHAPHIRGKRHXOQ-UHFFFAOYSA-N | 
 
				 
				