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Arry-380 analog 1mg

CAT: 0628-A11027-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A11027-1Size:1 mg
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CAS Number
937265-83-3

Chemical Information

6-(5-((2-methylsulfonylethylamino)methyl)furan-2-yl)-N-(3-methyl-4-((1,2,4)triazolo(1,5-a)pyridin-7-yloxy)phenyl)quinazolin-4-amine
CAS Number937265-83-3
PubChem CID42598643
IUPAC Name6-[5-[(2-methylsulfonylethylamino)methyl]furan-2-yl]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
Molecular FormulaC29H27N7O4S
Molecular Weight569.6
XLogP3.6
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count41
Formal Charge0
Complexity954
SMILES
CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C4=CC=C(O4)CNCCS(=O)(=O)C)OC5=CC6=NC=NN6C=C5
InChI
InChI=1S/C29H27N7O4S/c1-19-13-21(4-7-26(19)39-22-9-11-36-28(15-22)32-18-34-36)35-29-24-14-20(3-6-25(24)31-17-33-29)27-8-5-23(40-27)16-30-10-12-41(2,37)38/h3-9,11,13-15,17-18,30H,10,12,16H2,1-2H3,(H,31,33,35)
InChIKey
QVMNYGOVNWWFKF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(5-((2-methylsulfonylethylamino)methyl)furan-2-yl)-N-(3-methyl-4-((1,2,4)triazolo(1,5-a)pyridin-7-yloxy)phenyl)quinazolin-4-amine
CAS: 937265-83-3
CID: 42598643
Formula: C29H27N7O4S
MW: 569.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight569.6
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass569.18452354
Monoisotopic Mass569.18452354
Topological Polar Surface Area145 Ų
Heavy Atom Count41
Formal Charge0
Complexity954
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