1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 3,5-dimethoxybenzoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 3,5-dimethoxybenzoate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 3,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | C100-0613 |
| Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 3,5-dimethoxybenzoate |
| Molecular Weight: | 471.53 |
| Molecular Formula: | C23 H25 N3 O6 S |
| Smiles: | Cc1c(c(n(C(C)(C)C)n1)OC(c1cc(cc(c1)OC)OC)=O)Sc1ccccc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5355 |
| logD: | 4.5355 |
| logSw: | -4.4872 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.414 |
| InChI Key: | KSMPUCAXDKOGBB-UHFFFAOYSA-N |