1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl furan-2-carboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl furan-2-carboxylate
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl furan-2-carboxylate
Compound characteristics
| Compound ID: | C100-0804 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl furan-2-carboxylate |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C20 H22 N2 O3 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c1OC(c1ccco1)=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.437 |
| logD: | 4.437 |
| logSw: | -4.3904 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.824 |
| InChI Key: | GDSOMEVXFLOMLF-UHFFFAOYSA-N |