2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)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-(3-methylphenyl)acetamide
Available: 272 mg
Amount:
mg
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Compound characteristics

Compound ID: J031-1714
Compound Name: 2-{[4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide
Molecular Weight: 436.53
Molecular Formula: C23 H24 N4 O3 S
Smiles: Cc1cccc(c1)NC(CSc1nnc(c2ccc3c(c2)OCCCO3)n1C1CC1)=O
Stereo: ACHIRAL
logP: 3.8489
logD: 3.8489
logSw: -3.8864
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 64.18
InChI Key: XTHJEVFBAYKXMV-UHFFFAOYSA-N
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