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

Chemical Structure Depiction of
2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
Available: 17 mg
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mg
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Compound characteristics

Compound ID: V006-9858
Compound Name: 2-[3-tert-butyl-1-(2-chlorophenyl)-4-(2-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-[(pyridin-2-yl)methyl]acetamide
Molecular Weight: 590.14
Molecular Formula: C31 H32 Cl N5 O3 S
Salt: not_available
Smiles: CC(C)(C)c1c2C(c3ccccc3OC)SCC(N(CC(NCc3ccccn3)=O)c2n(c2ccccc2[Cl])n1)=O
Stereo: RACEMIC MIXTURE
logP: 5.7266
logD: 5.7257
logSw: -5.8046
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 71.64
InChI Key: XWKPKGHZNJFLHS-MUUNZHRXSA-N
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