1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 2-ethylbutanoate
Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 2-ethylbutanoate
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 2-ethylbutanoate
Compound characteristics
Compound ID: | C100-0574 |
Compound Name: | 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl 2-ethylbutanoate |
Molecular Weight: | 405.51 |
Molecular Formula: | C20 H27 N3 O4 S |
Smiles: | CCC(CC)C(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccccc1[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 4.9994 |
logD: | 4.9994 |
logSw: | -4.6976 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 68.598 |
InChI Key: | LEUFJLZNOHVYLY-UHFFFAOYSA-N |