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AM-9074

CAT: 0926-SHC67792-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-SHC67792-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1442677-92-0
Smiles
CNC (NC1=CC (OC2=CC (OC) =CN=C2) =C ([C@H]3CCCOC3) C=N1) =O
Molecular Formula
C18H22N4O4
Molecular Weight
358.39 g/mol
Controlled
No

Chemical Information

1-[4-[(5-methoxy-3-pyridinyl)oxy]-5-[(3R)-oxan-3-yl]-2-pyridinyl]-3-methylurea
CAS Number1442677-92-0
PubChem CID71603520
IUPAC Name1-[4-[(5-methoxy-3-pyridinyl)oxy]-5-[(3R)-oxan-3-yl]-2-pyridinyl]-3-methylurea
Molecular FormulaC18H22N4O4
Molecular Weight358.4
XLogP1
Topological Polar Surface Area94.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity453
SMILES
CNC(=O)NC1=NC=C(C(=C1)OC2=CN=CC(=C2)OC)[C@H]3CCCOC3
InChI
InChI=1S/C18H22N4O4/c1-19-18(23)22-17-7-16(26-14-6-13(24-2)8-20-9-14)15(10-21-17)12-4-3-5-25-11-12/h6-10,12H,3-5,11H2,1-2H3,(H2,19,21,22,23)/t12-/m0/s1
InChIKey
APSOPISMEDAYTH-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-[(5-methoxy-3-pyridinyl)oxy]-5-[(3R)-oxan-3-yl]-2-pyridinyl]-3-methylurea
CAS: 1442677-92-0
CID: 71603520
Formula: C18H22N4O4
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass358.16410520
Monoisotopic Mass358.16410520
Topological Polar Surface Area94.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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