3-({7-[(5-tert-butyl-2-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate

Chemical Structure Depiction of
3-({7-[(5-tert-butyl-2-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Available: 94 mg
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mg
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Compound characteristics

Compound ID: K786-2879
Compound Name: 3-({7-[(5-tert-butyl-2-methylphenyl)sulfanyl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propyl acetate
Molecular Weight: 458.54
Molecular Formula: C22 H26 N4 O5 S
Smiles: CC(=O)OCCCNc1cc(c2c(c1[N+]([O-])=O)non2)Sc1cc(ccc1C)C(C)(C)C
Stereo: ACHIRAL
logP: 6.6268
logD: 6.6268
logSw: -5.533
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 1
Polar surface area: 100.406
InChI Key: NPVHRILXIKOWRP-UHFFFAOYSA-N
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