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4-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one

Chemical Structure Depiction of
4-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Available: 14 mg
Amount:
mg
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$83.09
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Compound characteristics

Compound ID: D302-0172
Compound Name: 4-(3,4-dimethoxyphenyl)-1-(4,6-dimethylpyrimidin-2-yl)-3-methyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Molecular Weight: 425.51
Molecular Formula: C21 H23 N5 O3 S
Smiles: Cc1cc(C)nc(n1)n1c2c(C(c3ccc(c(c3)OC)OC)SCC(N2)=O)c(C)n1
Stereo: RACEMIC MIXTURE
logP: 2.5294
logD: 2.3848
logSw: -2.9512
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 71.794
InChI Key: SXSKIWAXCPJEDJ-LJQANCHMSA-N
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