2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide

Chemical Structure Depiction of
2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Available: 167 mg
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mg
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Compound characteristics

Compound ID: J031-1724
Compound Name: 2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Molecular Weight: 440.5
Molecular Formula: C22 H21 F N4 O3 S
Smiles: C1COc2ccc(cc2OC1)c1nnc(n1C1CC1)SCC(Nc1ccccc1F)=O
Stereo: ACHIRAL
logP: 3.2691
logD: 3.2689
logSw: -3.4669
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 63.482
InChI Key: ICBMZLPYQZWKNX-UHFFFAOYSA-N
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