4-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl thiocyanate

Chemical Structure Depiction of
4-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl thiocyanate
Available: 113 mg
Amount:
mg
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Compound characteristics

Compound ID: 3660-0446
Compound Name: 4-{[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino}phenyl thiocyanate
Molecular Weight: 410.45
Molecular Formula: C19 H18 N6 O3 S
Smiles: C1CCCN(CC1)c1cc(c(c2c1non2)[N+]([O-])=O)Nc1ccc(cc1)SC#N
Stereo: ACHIRAL
logP: 6.0898
logD: 6.0898
logSw: -5.9078
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 99.372
InChI Key: OKKMPWXHAMTBRW-UHFFFAOYSA-N
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