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

Chemical Structure Depiction of
2-[3-tert-butyl-1-(3-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Available: 14 mg
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mg
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Compound characteristics

Compound ID: V012-0200
Compound Name: 2-[3-tert-butyl-1-(3-methylphenyl)-7-oxo-4-(thiophen-2-yl)-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(furan-2-yl)methyl]acetamide
Molecular Weight: 534.7
Molecular Formula: C28 H30 N4 O3 S2
Smiles: Cc1cccc(c1)n1c2c(C(c3cccs3)SCC(N2CC(NCc2ccco2)=O)=O)c(C(C)(C)C)n1
Stereo: RACEMIC MIXTURE
logP: 5.9568
logD: 5.9568
logSw: -5.4157
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 63.535
InChI Key: YJIPJTUYEXZQSM-VWLOTQADSA-N
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