1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl cyclohexanecarboxylate

Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl cyclohexanecarboxylate
Available: 177 mg
Amount:
mg
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Compound characteristics

Compound ID: C100-0576
Compound Name: 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl cyclohexanecarboxylate
Molecular Weight: 417.53
Molecular Formula: C21 H27 N3 O4 S
Smiles: Cc1c(c(n(C(C)(C)C)n1)OC(C1CCCCC1)=O)Sc1ccccc1[N+]([O-])=O
Stereo: ACHIRAL
logP: 5.0712
logD: 5.0712
logSw: -4.7308
Hydrogen bond acceptors count: 9
Polar surface area: 68.518
InChI Key: BSNIAJCMEGXSLD-UHFFFAOYSA-N
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