3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl pentanoate

Chemical Structure Depiction of
3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl pentanoate
Available: 228 mg
Amount:
mg
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Compound characteristics

Compound ID: C100-0116
Compound Name: 3-methyl-4-[(2-nitrophenyl)sulfanyl]-1-phenyl-1H-pyrazol-5-yl pentanoate
Molecular Weight: 411.48
Molecular Formula: C21 H21 N3 O4 S
Smiles: CCCCC(=O)Oc1c(c(C)nn1c1ccccc1)Sc1ccccc1[N+]([O-])=O
Stereo: ACHIRAL
logP: 4.9422
logD: 4.9422
logSw: -4.6644
Hydrogen bond acceptors count: 9
Polar surface area: 67.036
InChI Key: KVFIAQBDHSQGRY-UHFFFAOYSA-N
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