ONC213

CAT: 0607-C8573-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-C8573-10Size:10 mg

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

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CAS Number

1977540-13-8

Molecular Formula

C23H22F2N4O

Molecular Weight

408.44

Storage Conditions

Store at -20°C

Physical Properties

A solid

Chemical Information

4-[(3,4-Difluorophenyl)methyl]-2,4,6,7,8,9-hexahydro-7-(phenylmethyl)imidazo[1,2-a]pyrido[3,4-e]pyrimidin-5(1H)-one

CAS Number	1977540-13-8
PubChem CID	135297778
IUPAC Name	11-benzyl-7-[(3,4-difluorophenyl)methyl]-2,5,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),5-dien-8-one
Molecular Formula	C23H22F2N4O
Molecular Weight	408.4
XLogP	2.2
Topological Polar Surface Area	39.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	30
Formal Charge	0
Complexity	733

SMILES

C1CN(CC2=C1N3CCN=C3N(C2=O)CC4=CC(=C(C=C4)F)F)CC5=CC=CC=C5

InChI

InChI=1S/C23H22F2N4O/c24-19-7-6-17(12-20(19)25)14-29-22(30)18-15-27(13-16-4-2-1-3-5-16)10-8-21(18)28-11-9-26-23(28)29/h1-7,12H,8-11,13-15H2

InChIKey

JSJNWKZRWWDYBB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1977540-13-8

CID: 135297778

Formula: C23H22F2N4O

MW: 408.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	408.4
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	408.17616766
Monoisotopic Mass	408.17616766
Topological Polar Surface Area	39.2 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	733
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-164515-01	ONC213