1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl furan-2-carboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl furan-2-carboxylate
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl furan-2-carboxylate
Compound characteristics
| Compound ID: | C100-0531 |
| Compound Name: | 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl furan-2-carboxylate |
| Molecular Weight: | 356.44 |
| Molecular Formula: | C19 H20 N2 O3 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1ccco1)=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.8286 |
| logD: | 3.8286 |
| logSw: | -4.066 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.824 |
| InChI Key: | KYSBEUHMSXJVMQ-UHFFFAOYSA-N |