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 |