N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide

Chemical Structure Depiction of
N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Available: 114 mg
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mg
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Compound characteristics

Compound ID: 6623-1336
Compound Name: N-(6-nitro-1,3-benzothiazol-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Molecular Weight: 465.51
Molecular Formula: C20 H15 N7 O3 S2
Smiles: CCC(C(Nc1nc2ccc(cc2s1)[N+]([O-])=O)=O)Sc1nc2c(c3ccccc3[nH]2)nn1
Stereo: RACEMIC MIXTURE
logP: 4.4893
logD: 4.4892
logSw: -4.375
Hydrogen bond acceptors count: 11
Hydrogen bond donors count: 2
Polar surface area: 108.04
InChI Key: XHLBYWDHTJBWCR-AWEZNQCLSA-N
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