2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-methyl-1H-indol-3-yl)ethan-1-one

Chemical Structure Depiction of
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-methyl-1H-indol-3-yl)ethan-1-one
Available: 147 mg
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mg
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Compound characteristics

Compound ID: J031-0009
Compound Name: 2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(1-methyl-1H-indol-3-yl)ethan-1-one
Molecular Weight: 434.52
Molecular Formula: C23 H22 N4 O3 S
Smiles: Cn1cc(C(CSc2nnc(c3ccc4c(c3)OCCCO4)n2C)=O)c2ccccc12
Stereo: ACHIRAL
logP: 3.2319
logD: 3.2318
logSw: -3.36
Hydrogen bond acceptors count: 7
Polar surface area: 57.011
InChI Key: SGANBCOQRNXOIN-UHFFFAOYSA-N
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