1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
Compound characteristics
| Compound ID: | C100-0749 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(4-methylphenyl)sulfanyl]-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate |
| Molecular Weight: | 449.36 |
| Molecular Formula: | C20 H21 Br N2 O3 S |
| Smiles: | Cc1ccc(cc1)Sc1c(C)nn(c1OC(c1ccc(o1)[Br])=O)C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.3165 |
| logD: | 5.3165 |
| logSw: | -5.3731 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.171 |
| InChI Key: | VCLDMHIMPVIYST-UHFFFAOYSA-N |