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DAP-81

CAT: 0013-GTR19211270-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19211270-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DAP-81
CAS Number
794466-17-4
Field of Research
Cell Biology
Smiles
C (=O) (C1=C (NC=2C (N (=O) =O) =CN=C (NC3=CC=C (NC (C) =O) C=C3) N2) C=CC=C1) C4=CC=CC=C4
Molecular Formula
C25H20N6O4
Molecular Weight
468.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Dap-81
CAS Number794466-17-4
PubChem CID9548005
IUPAC NameN-[4-[[4-(2-benzoylanilino)-5-nitropyrimidin-2-yl]amino]phenyl]acetamide
Molecular FormulaC25H20N6O4
Molecular Weight468.5
XLogP4.9
Topological Polar Surface Area142
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity732
SMILES
CC(=O)NC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=CC=C3C(=O)C4=CC=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C25H20N6O4/c1-16(32)27-18-11-13-19(14-12-18)28-25-26-15-22(31(34)35)24(30-25)29-21-10-6-5-9-20(21)23(33)17-7-3-2-4-8-17/h2-15H,1H3,(H,27,32)(H2,26,28,29,30)
InChIKey
LOMJSEHTDFISSP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dap-81
CAS: 794466-17-4
CID: 9548005
Formula: C25H20N6O4
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass468.15460314
Monoisotopic Mass468.15460314
Topological Polar Surface Area142 Ų
Heavy Atom Count35
Formal Charge0
Complexity732
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

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