1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-nitrobenzoate

Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-nitrobenzoate
Available: 293 mg
Amount:
mg
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Compound characteristics

Compound ID: C100-0539
Compound Name: 1-tert-butyl-3-methyl-4-(phenylsulfanyl)-1H-pyrazol-5-yl 2-nitrobenzoate
Molecular Weight: 411.48
Molecular Formula: C21 H21 N3 O4 S
Smiles: Cc1c(c(n(C(C)(C)C)n1)OC(c1ccccc1[N+]([O-])=O)=O)Sc1ccccc1
Stereo: ACHIRAL
logP: 4.4907
logD: 4.4907
logSw: -4.5731
Hydrogen bond acceptors count: 9
Polar surface area: 68.326
InChI Key: PRRVFVREXMVEMN-UHFFFAOYSA-N
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