2-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl butanoate

Chemical Structure Depiction of
2-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl butanoate
Available: 125 mg
Amount:
mg
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Compound characteristics

Compound ID: K786-2848
Compound Name: 2-{[7-(benzylsulfanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}ethyl butanoate
Molecular Weight: 416.45
Molecular Formula: C19 H20 N4 O5 S
Smiles: CCCC(=O)OCCNc1cc(c2c(c1[N+]([O-])=O)non2)SCc1ccccc1
Stereo: ACHIRAL
logP: 4.7491
logD: 4.7491
logSw: -4.5135
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 1
Polar surface area: 99.709
InChI Key: GFLVJKOYNSXKDQ-UHFFFAOYSA-N
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