3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
Compound characteristics
| Compound ID: | C100-0112 |
| Compound Name: | 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate |
| Molecular Weight: | 500.33 |
| Molecular Formula: | C21 H14 Br N3 O5 S |
| Smiles: | Cc1c(c(n(c2ccccc2)n1)OC(c1ccc(o1)[Br])=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.053 |
| logD: | 5.053 |
| logSw: | -4.8041 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.285 |
| InChI Key: | QGQGWMNBUJHWGO-UHFFFAOYSA-N |