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PG 01

CAT: 0024-sc-358839ASize: 25 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-358839ASize:25 mg
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CAS Number
853138-65-5

Chemical Information

Phenylglycine-01
CAS Number853138-65-5
PubChem CID4695397
IUPAC Name2-[[2-(1H-indol-3-yl)acetyl]-methylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
Molecular FormulaC28H29N3O2
Molecular Weight439.5
XLogP5.2
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count33
Formal Charge0
Complexity652
SMILES
CC(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N(C)C(=O)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C28H29N3O2/c1-19(2)20-13-15-23(16-14-20)30-28(33)27(21-9-5-4-6-10-21)31(3)26(32)17-22-18-29-25-12-8-7-11-24(22)25/h4-16,18-19,27,29H,17H2,1-3H3,(H,30,33)
InChIKey
PQAYCXMQTUEDRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phenylglycine-01
CAS: 853138-65-5
CID: 4695397
Formula: C28H29N3O2
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass439.22597718
Monoisotopic Mass439.22597718
Topological Polar Surface Area65.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity652
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes