2-[4-(2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(butan-2-yl)acetamide

Chemical Structure Depiction of
2-[4-(2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(butan-2-yl)acetamide
Available: 27 mg
Amount:
mg
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Compound characteristics

Compound ID: V027-7237
Compound Name: 2-[4-(2H-1,3-benzodioxol-5-yl)-1-(4-methylphenyl)-7-oxo-3-phenyl-1,4,6,7-tetrahydro-8H-pyrazolo[3,4-e][1,4]thiazepin-8-yl]-N-(butan-2-yl)acetamide
Molecular Weight: 568.7
Molecular Formula: C32 H32 N4 O4 S
Salt: not_available
Smiles: CCC(C)NC(CN1C(CSC(c2ccc3c(c2)OCO3)c2c(c3ccccc3)nn(c3ccc(C)cc3)c12)=O)=O
Stereo: MIXTURE OF STEREOISOMERS
logP: 5.9956
logD: 5.9956
logSw: -5.4448
Hydrogen bond acceptors count: 8
Hydrogen bond donors count: 1
Polar surface area: 71.325
InChI Key: WWUZNNQITRDALV-UHFFFAOYSA-N
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