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SKLB-197

CAT: 0607-BA3715-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA3715-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2713577-16-1
Form
A solid
Molecular Formula
C25H24N6O
Molecular Weight
424.50
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

CID 162641668
CAS Number2713577-16-1
PubChem CID162641668
IUPAC Name(3R)-4-[2-(1H-indol-4-yl)-6-(2-methylpyrazol-3-yl)quinazolin-4-yl]-3-methylmorpholine
Molecular FormulaC25H24N6O
Molecular Weight424.5
XLogP3.8
Topological Polar Surface Area71.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity650
SMILES
C[C@@H]1COCCN1C2=NC(=NC3=C2C=C(C=C3)C4=CC=NN4C)C5=C6C=CNC6=CC=C5
InChI
InChI=1S/C25H24N6O/c1-16-15-32-13-12-31(16)25-20-14-17(23-9-11-27-30(23)2)6-7-22(20)28-24(29-25)19-4-3-5-21-18(19)8-10-26-21/h3-11,14,16,26H,12-13,15H2,1-2H3/t16-/m1/s1
InChIKey
FCNFJRRMUAOHKI-MRXNPFEDSA-N
Chemical Structure
2D Structure
2D structure of CID 162641668
CAS: 2713577-16-1
CID: 162641668
Formula: C25H24N6O
MW: 424.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.5
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass424.20115941
Monoisotopic Mass424.20115941
Topological Polar Surface Area71.9 Ų
Heavy Atom Count32
Formal Charge0
Complexity650
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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