2-[3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide

Chemical Structure Depiction of
2-[3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Available: 2 mg
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mg
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Compound characteristics

Compound ID: V009-5117
Compound Name: 2-[3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(3-methoxypropyl)acetamide
Molecular Weight: 542.72
Molecular Formula: C27 H34 N4 O4 S2
Smiles: CC(C)(C)c1c2C(c3cccs3)SCC(N(CC(NCCCOC)=O)c2n(c2ccc(cc2)OC)n1)=O
Stereo: RACEMIC MIXTURE
logP: 4.2287
logD: 4.2287
logSw: -4.1574
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 71.785
InChI Key: HYBNAKNYEDMOJJ-DEOSSOPVSA-N
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