1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl methoxyacetate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl methoxyacetate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl methoxyacetate
Compound characteristics
| Compound ID: | C100-0561 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl methoxyacetate |
| Molecular Weight: | 379.43 |
| Molecular Formula: | C17 H21 N3 O5 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(COC)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7816 |
| logD: | 2.7816 |
| logSw: | -3.319 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.426 |
| InChI Key: | WGSNECLIANMZLI-UHFFFAOYSA-N |