2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide

Chemical Structure Depiction of
2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
Available: 11 mg
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mg
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Compound characteristics

Compound ID: V015-1978
Compound Name: 2-[4-(2H-1,3-benzodioxol-5-yl)-3-tert-butyl-1-(4-methoxyphenyl)-7-oxo-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-cyclopropylacetamide
Molecular Weight: 548.66
Molecular Formula: C29 H32 N4 O5 S
Salt: not_available
Smiles: CC(C)(C)c1c2C(c3ccc4c(c3)OCO4)SCC(N(CC(NC3CC3)=O)c2n(c2ccc(cc2)OC)n1)=O
Stereo: RACEMIC MIXTURE
logP: 4.9671
logD: 4.9671
logSw: -4.707
Hydrogen bond acceptors count: 9
Hydrogen bond donors count: 1
Polar surface area: 79.483
InChI Key: LQDAOAZRHGDLBP-AREMUKBSSA-N
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