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

Chemical Structure Depiction of
1-(4,6-dimethylpyrimidin-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Available: 112 mg
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mg
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Compound characteristics

Compound ID: D302-0135
Compound Name: 1-(4,6-dimethylpyrimidin-2-yl)-4-(4-hydroxy-3-methoxyphenyl)-3-phenyl-4,8-dihydro-1H-pyrazolo[3,4-e][1,4]thiazepin-7(6H)-one
Molecular Weight: 473.55
Molecular Formula: C25 H23 N5 O3 S
Smiles: Cc1cc(C)nc(n1)n1c2c(C(c3ccc(c(c3)OC)O)SCC(N2)=O)c(c2ccccc2)n1
Stereo: RACEMIC MIXTURE
logP: 3.559
logD: 3.5545
logSw: -3.4881
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 2
Polar surface area: 80.634
InChI Key: PKTSPJFTPIXHSA-HSZRJFAPSA-N
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