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

Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl adamantane-1-carboxylate
Available: 182 mg
Amount:
mg
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Compound characteristics

Compound ID: C100-0578
Compound Name: 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl adamantane-1-carboxylate
Molecular Weight: 469.6
Molecular Formula: C25 H31 N3 O4 S
Smiles: Cc1c(c(n(C(C)(C)C)n1)OC(C12CC3CC(CC(C3)C2)C1)=O)Sc1ccccc1[N+]([O-])=O
Stereo: ACHIRAL
logP: 6.2646
logD: 6.2646
logSw: -5.6727
Hydrogen bond acceptors count: 9
Polar surface area: 68.359
InChI Key: XANNWRFBFWMDKO-UHFFFAOYSA-N
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