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Adamantyl-thpinaca

CAT: 0926-AGC74248-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-AGC74248-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1400742-48-4
Smiles
C1COCCC1CN2C3=CC=CC=C3C (=N2) C (=O) NC4C5CC6CC (C5) CC4C6
Molecular Formula
C24H31N3O2
Molecular Weight
393.5 g/mol
Controlled
Yes

Chemical Information

1-((Tetrahydro-2H-pyran-4-yl)methyl)-N-tricyclo(3.3.1.13,7)dec-1-yl-1H-indazole-3-carboxamide
CAS Number1400742-48-4
PubChem CID129532625
IUPAC NameN-(1-adamantyl)-1-(oxan-4-ylmethyl)indazole-3-carboxamide
Molecular FormulaC24H31N3O2
Molecular Weight393.5
XLogP4.4
Topological Polar Surface Area56.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity590
SMILES
C1COCCC1CN2C3=CC=CC=C3C(=N2)C(=O)NC45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C24H31N3O2/c28-23(25-24-12-17-9-18(13-24)11-19(10-17)14-24)22-20-3-1-2-4-21(20)27(26-22)15-16-5-7-29-8-6-16/h1-4,16-19H,5-15H2,(H,25,28)
InChIKey
WFDRVDUEMGJILX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-((Tetrahydro-2H-pyran-4-yl)methyl)-N-tricyclo(3.3.1.13,7)dec-1-yl-1H-indazole-3-carboxamide
CAS: 1400742-48-4
CID: 129532625
Formula: C24H31N3O2
MW: 393.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.5
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass393.24162724
Monoisotopic Mass393.24162724
Topological Polar Surface Area56.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity590
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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