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TP-472

CAT: 0013-GTR19204603-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204603-01Size:1 mg
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Description
TP-472
CAS Number
2079895-62-6
Field of Research
Cell Biology, Epigenetics & Chromatin
Smiles
CC (=O) c1cc (-c2cc (ccc2C) C (=O) NC2CC2) c2ncccn12
Molecular Formula
C20H19N3O2
Molecular Weight
333.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

TP-472
CAS Number2079895-62-6
PubChem CID123773279
IUPAC Name3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide
Molecular FormulaC20H19N3O2
Molecular Weight333.4
XLogP3.6
Topological Polar Surface Area63.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity533
SMILES
CC1=C(C=C(C=C1)C(=O)NC2CC2)C3=C4N=CC=CN4C(=C3)C(=O)C
InChI
InChI=1S/C20H19N3O2/c1-12-4-5-14(20(25)22-15-6-7-15)10-16(12)17-11-18(13(2)24)23-9-3-8-21-19(17)23/h3-5,8-11,15H,6-7H2,1-2H3,(H,22,25)
InChIKey
RPBMXJHQYJLPDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of TP-472
CAS: 2079895-62-6
CID: 123773279
Formula: C20H19N3O2
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass333.147726857
Monoisotopic Mass333.147726857
Topological Polar Surface Area63.5 Ų
Heavy Atom Count25
Formal Charge0
Complexity533
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