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EPZ020411 2HCl

CAT: 0244-S7820-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0244-S7820-25mgSize:25 mg
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CAS Number
2070015-25-5

Chemical Information

EPZ020411 HCl
CAS Number2070015-25-5
PubChem CID119081410
IUPAC NameN,N'-dimethyl-N'-[[5-[4-[3-[2-(oxan-4-yl)ethoxy]cyclobutyl]oxyphenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine;hydrochloride
Molecular FormulaC25H39ClN4O3
Molecular Weight479.1
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count33
Formal Charge0
Complexity519
SMILES
CNCCN(C)CC1=C(NN=C1)C2=CC=C(C=C2)OC3CC(C3)OCCC4CCOCC4.Cl
InChI
InChI=1S/C25H38N4O3.ClH/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);1H
InChIKey
LIDZHJMYAKPGOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of EPZ020411 HCl
CAS: 2070015-25-5
CID: 119081410
Formula: C25H39ClN4O3
MW: 479.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight479.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass478.2710688
Monoisotopic Mass478.2710688
Topological Polar Surface Area71.6 Ų
Heavy Atom Count33
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 Count2
Compound Is CanonicalizedYes