RWJ-51204

CAT: 0607-BA6710-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6710-1Size:1 mg

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

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CAS Number

205701-85-5

Molecular Formula

C21H19F2N3O3

Molecular Weight

399.39

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Pyrido[1,2-A]benzimidazole-4-carboxamide, 5-(ethoxymethyl)-7-fluoro-N-(2-fluorophenyl)-1,2,3,5-tetrahydro-3-oxo-

CAS Number	205701-85-5
PubChem CID	9822240
IUPAC Name	5-(ethoxymethyl)-7-fluoro-N-(2-fluorophenyl)-3-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
Molecular Formula	C21H19F2N3O3
Molecular Weight	399.4
XLogP	3.2
Topological Polar Surface Area	61.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	29
Formal Charge	0
Complexity	686

SMILES

CCOCN1C2=C(C=CC(=C2)F)N3C1=C(C(=O)CC3)C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C21H19F2N3O3/c1-2-29-12-26-17-11-13(22)7-8-16(17)25-10-9-18(27)19(21(25)26)20(28)24-15-6-4-3-5-14(15)23/h3-8,11H,2,9-10,12H2,1H3,(H,24,28)

InChIKey

VQOQDABVGWLROX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 205701-85-5

CID: 9822240

Formula: C21H19F2N3O3

MW: 399.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	399.4
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	399.13944780
Monoisotopic Mass	399.13944780
Topological Polar Surface Area	61.9 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	686
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