3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
Chemical Structure Depiction of
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
Compound characteristics
| Compound ID: | C100-0021 |
| Compound Name: | 3-methyl-1-phenyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate |
| Molecular Weight: | 455.33 |
| Molecular Formula: | C21 H15 Br N2 O3 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccc(o1)[Br])=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1391 |
| logD: | 5.1391 |
| logSw: | -5.1546 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 43.204 |
| InChI Key: | GOTAVOHAISUCFU-UHFFFAOYSA-N |