DCZ0415

CAT: 0926-SPD47043-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-SPD47043-02Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2242470-43-3

Smiles

C1C2C1C3C=CC2C4C3C (=O) N (C4=O) C5=CC=C (C=C5) CC6=CC=NC=C6

Molecular Formula

C23H20N2O2

Molecular Weight

356.4 g/mol

Controlled

Chemical Information

2-(4-(Pyridin-4-ylmethyl)phenyl)-4,4a,5,5a,6,6a-hexahydro-4,6-ethenocyclopropa[f]isoindole-1,3(2H,3aH)-dione

CAS Number	2242470-43-3
PubChem CID	145925662
IUPAC Name	4-[4-(pyridin-4-ylmethyl)phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
Molecular Formula	C23H20N2O2
Molecular Weight	356.4
XLogP	3
Topological Polar Surface Area	50.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	638

SMILES

C1C2C1C3C=CC2C4C3C(=O)N(C4=O)C5=CC=C(C=C5)CC6=CC=NC=C6

InChI

InChI=1S/C23H20N2O2/c26-22-20-16-5-6-17(19-12-18(16)19)21(20)23(27)25(22)15-3-1-13(2-4-15)11-14-7-9-24-10-8-14/h1-10,16-21H,11-12H2

InChIKey

LOXMLWHUIONWMI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2242470-43-3

CID: 145925662

Formula: C23H20N2O2

MW: 356.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.4
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	356.152477885
Monoisotopic Mass	356.152477885
Topological Polar Surface Area	50.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	638
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BA2771-50	DCZ0415