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EPZ020411 50mg

CAT: 0628-A16377-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A16377-50Size:50 mg
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CAS Number
1700663-41-7

Chemical Information

Epz020411
CAS Number1700663-41-7
PubChem CID91668547
IUPAC NameN,N'-dimethyl-N'-[[5-[4-[3-[2-(oxan-4-yl)ethoxy]cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
Molecular FormulaC25H38N4O3
Molecular Weight442.6
XLogP2.7
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count32
Formal Charge0
Complexity519
SMILES
CNCCN(C)CC1=C(NN=C1)C2=CC=C(C=C2)OC3CC(C3)OCCC4CCOCC4
InChI
InChI=1S/C25H38N4O3/c1-26-10-11-29(2)18-21-17-27-28-25(21)20-3-5-22(6-4-20)32-24-15-23(16-24)31-14-9-19-7-12-30-13-8-19/h3-6,17,19,23-24,26H,7-16,18H2,1-2H3,(H,27,28)
InChIKey
QMDKVNSQXPVCRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Epz020411
CAS: 1700663-41-7
CID: 91668547
Formula: C25H38N4O3
MW: 442.6
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.6
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass442.29439109
Monoisotopic Mass442.29439109
Topological Polar Surface Area71.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity519
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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B6088-5EPZ020411
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