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N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide

Chemical Structure Depiction of
N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Available: 2 mg
Amount:
mg
Format:
$83.09
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Compound characteristics

Compound ID: J031-1333
Compound Name: N-[(8-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2-[(6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
Molecular Weight: 453.52
Molecular Formula: C23 H23 N3 O5 S
Smiles: COc1cc2c(cc1CNC(CSC1NC(C=C(c3ccccc3)N=1)=O)=O)OCCCO2
Stereo: ACHIRAL
logP: 1.9868
logD: 1.5376
logSw: -2.7018
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 2
Polar surface area: 82.786
InChI Key: DBUBHIDITLGSPS-UHFFFAOYSA-N
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