3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl furan-2-carboxylate
Chemical Structure Depiction of
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl furan-2-carboxylate
3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl furan-2-carboxylate
Compound characteristics
Compound ID: | C100-0349 |
Compound Name: | 3-methyl-4-[(4-methylphenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl furan-2-carboxylate |
Molecular Weight: | 390.46 |
Molecular Formula: | C22 H18 N2 O3 S |
Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c2ccccc2)c1OC(c1ccco1)=O |
Stereo: | ACHIRAL |
logP: | 4.868 |
logD: | 4.868 |
logSw: | -4.7352 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 42.857 |
InChI Key: | DFZBKBSYVXNTGG-UHFFFAOYSA-N |