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

Chemical Structure Depiction of
1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl butanoate
Available: 96 mg
Amount:
mg
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Compound characteristics

Compound ID: C100-0573
Compound Name: 1-tert-butyl-3-methyl-4-[(2-nitrophenyl)sulfanyl]-1H-pyrazol-5-yl butanoate
Molecular Weight: 377.46
Molecular Formula: C18 H23 N3 O4 S
Smiles: CCCC(=O)Oc1c(c(C)nn1C(C)(C)C)Sc1ccccc1[N+]([O-])=O
Stereo: ACHIRAL
logP: 4.1443
logD: 4.1443
logSw: -4.232
Hydrogen bond acceptors count: 9
Polar surface area: 68.003
InChI Key: VTMQPEXJMSAEGM-UHFFFAOYSA-N
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