N-(3-chloro-2-methylphenyl)-2-{[4-ethyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-{[4-ethyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Available: 287 mg
Amount:
mg
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Compound characteristics

Compound ID: J031-1800
Compound Name: N-(3-chloro-2-methylphenyl)-2-{[4-ethyl-5-(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Molecular Weight: 472.99
Molecular Formula: C23 H25 Cl N4 O3 S
Smiles: CCn1c(c2cc3c(cc2C)OCCCO3)nnc1SCC(Nc1cccc(c1C)[Cl])=O
Stereo: ACHIRAL
logP: 4.2595
logD: 4.2592
logSw: -4.5171
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 62.571
InChI Key: GALRSKUGXBAGHO-UHFFFAOYSA-N
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