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Nvp-bez 235-d3

CAT: 0926-IVB20674-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-IVB20674-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1133206-74-2
Smiles
CC (C) (C#N) C1=CC=C (C=C1) N2C3=C4C=C (C=CC4=NC=C3N (C2=O) C) C5=CC6=CC=CC=C6N=C5
Molecular Formula
C30H23N5O
Molecular Weight
472.6 g/mol
Controlled
No

Chemical Information

Nvp-bez 235-D3
CAS Number1133206-74-2
PubChem CID25207809
IUPAC Name2-methyl-2-[4-[2-oxo-8-quinolin-3-yl-3-(trideuteriomethyl)imidazo[4,5-c]quinolin-1-yl]phenyl]propanenitrile
Molecular FormulaC30H23N5O
Molecular Weight472.6
XLogP5.2
Topological Polar Surface Area73.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count36
Formal Charge0
Complexity872
SMILES
[2H]C([2H])([2H])N1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC=C(C=C4)C(C)(C)C#N)C5=CC6=CC=CC=C6N=C5
InChI
InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3/i3D3
InChIKey
JOGKUKXHTYWRGZ-HPRDVNIFSA-N
Chemical Structure
2D Structure
2D structure of Nvp-bez 235-D3
CAS: 1133206-74-2
CID: 25207809
Formula: C30H23N5O
MW: 472.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.6
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass472.20909061
Monoisotopic Mass472.20909061
Topological Polar Surface Area73.1 Ų
Heavy Atom Count36
Formal Charge0
Complexity872
Isotope Atom Count3
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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