2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide

Chemical Structure Depiction of
2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Available: 54 mg
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mg
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Compound characteristics

Compound ID: V015-7394
Compound Name: 2-[1-(2-chlorophenyl)-4-(4-fluorophenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(oxolan-2-yl)methyl]acetamide
Molecular Weight: 591.1
Molecular Formula: C31 H28 Cl F N4 O3 S
Smiles: C1CC(CNC(CN2C(CSC(c3ccc(cc3)F)c3c(c4ccccc4)nn(c4ccccc4[Cl])c23)=O)=O)OC1
Stereo: MIXTURE OF STEREOISOMERS
logP: 5.0521
logD: 5.0521
logSw: -5.3038
Hydrogen bond acceptors count: 7
Hydrogen bond donors count: 1
Polar surface area: 62.85
InChI Key: BFTKCXHHMXENSA-UHFFFAOYSA-N
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