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RK-287107

CAT: 0607-BA4369-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4369-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2171386-10-8
Form
A solid
Molecular Formula
C22H26F2N4O2
Molecular Weight
416.46
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CAS Number2171386-10-8
PubChem CID137701512
IUPAC Name2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
Molecular FormulaC22H26F2N4O2
Molecular Weight416.5
XLogP2.2
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity762
SMILES
C1CCC2=C(C1)C(=O)NC(=N2)N3CCC4(CC3)CN(C5=C4C(=CC(=C5)F)F)CCO
InChI
InChI=1S/C22H26F2N4O2/c23-14-11-16(24)19-18(12-14)28(9-10-29)13-22(19)5-7-27(8-6-22)21-25-17-4-2-1-3-15(17)20(30)26-21/h11-12,29H,1-10,13H2,(H,25,26,30)
InChIKey
FZQYCOUBRJEYBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[4,6-difluoro-1-(2-hydroxyethyl)spiro[2H-indole-3,4'-piperidine]-1'-yl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CAS: 2171386-10-8
CID: 137701512
Formula: C22H26F2N4O2
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass416.20238241
Monoisotopic Mass416.20238241
Topological Polar Surface Area68.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity762
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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