1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate
Compound characteristics
| Compound ID: | C100-0567 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 5-bromofuran-2-carboxylate |
| Molecular Weight: | 480.34 |
| Molecular Formula: | C19 H18 Br N3 O5 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1ccc(o1)[Br])=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.622 |
| logD: | 4.622 |
| logSw: | -4.5465 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 77.252 |
| InChI Key: | AGGQHFUXADBGKC-UHFFFAOYSA-N |