1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 2,2-dimethylpropanoate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 2,2-dimethylpropanoate
Compound characteristics
| Compound ID: | C100-0572 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 2,2-dimethylpropanoate |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C19 H25 N3 O4 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(C(C)(C)C)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.6201 |
| logD: | 4.6201 |
| logSw: | -4.5303 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.598 |
| InChI Key: | KLTHFWJZCSUBQI-UHFFFAOYSA-N |