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RTI-13951-33 25mg

CAT: 0628-A19950-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A19950-25Size:25 mg
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CAS Number
2244884-08-8

Chemical Information

(1R,2R)-N-((2R,3R)-2-Amino-3-methoxybutyl)-N-(4'-(methoxymethyl)-[1,1'-biphenyl]-4-yl)-2-(pyridin-2-yl)cyclopropane-1-carboxamide
CAS Number2244884-08-8
PubChem CID134813902
IUPAC Nametrans-(1R,2R)-N-[(2R,3R)-2-amino-3-methoxybutyl]-N-[4-[4-(methoxymethyl)phenyl]phenyl]-2-pyridin-2-ylcyclopropane-1-carboxamide
Molecular FormulaC28H33N3O3
Molecular Weight459.6
XLogP2.8
Topological Polar Surface Area77.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity630
SMILES
C[C@H]([C@@H](CN(C1=CC=C(C=C1)C2=CC=C(C=C2)COC)C(=O)[C@@H]3C[C@H]3C4=CC=CC=N4)N)OC
InChI
InChI=1S/C28H33N3O3/c1-19(34-3)26(29)17-31(28(32)25-16-24(25)27-6-4-5-15-30-27)23-13-11-22(12-14-23)21-9-7-20(8-10-21)18-33-2/h4-15,19,24-26H,16-18,29H2,1-3H3/t19-,24-,25-,26-/m1/s1
InChIKey
XCHHIKJEGXHKLQ-UJTWYAIMSA-N
Chemical Structure
2D Structure
2D structure of (1R,2R)-N-((2R,3R)-2-Amino-3-methoxybutyl)-N-(4'-(methoxymethyl)-[1,1'-biphenyl]-4-yl)-2-(pyridin-2-yl)cyclopropane-1-carboxamide
CAS: 2244884-08-8
CID: 134813902
Formula: C28H33N3O3
MW: 459.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight459.6
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass459.25219192
Monoisotopic Mass459.25219192
Topological Polar Surface Area77.7 Ų
Heavy Atom Count34
Formal Charge0
Complexity630
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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