1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl furan-2-carboxylate
Chemical Structure Depiction of
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl furan-2-carboxylate
1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl furan-2-carboxylate
Compound characteristics
| Compound ID: | C100-0713 |
| Compound Name: | 1-tert-butyl-4-[(4-chlorophenyl)sulfanyl]-3-methyl-1H-pyrazol-5-yl furan-2-carboxylate |
| Molecular Weight: | 390.89 |
| Molecular Formula: | C19 H19 Cl N2 O3 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1ccco1)=O)Sc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6083 |
| logD: | 4.6083 |
| logSw: | -4.9152 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.824 |
| InChI Key: | HHDWNRVIAOTAGZ-UHFFFAOYSA-N |