CP-409092

CAT: 0926-UHA09825-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-UHA09825-02Size:5 mg

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

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CAS Number

194098-25-4

Smiles

CNCC1=CC=C (C=C1) NC (=O) C2=CNC3=C2C (=O) CCC3

Molecular Formula

C17H19N3O2

Molecular Weight

297.35 g/mol

Controlled

Chemical Information

CP-409092

CAS Number	194098-25-4
PubChem CID	9839190
IUPAC Name	N-[4-(methylaminomethyl)phenyl]-4-oxo-1,5,6,7-tetrahydroindole-3-carboxamide
Molecular Formula	C17H19N3O2
Molecular Weight	297.35
XLogP	1.1
Topological Polar Surface Area	74
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	418

SMILES

CNCC1=CC=C(C=C1)NC(=O)C2=CNC3=C2C(=O)CCC3

InChI

InChI=1S/C17H19N3O2/c1-18-9-11-5-7-12(8-6-11)20-17(22)13-10-19-14-3-2-4-15(21)16(13)14/h5-8,10,18-19H,2-4,9H2,1H3,(H,20,22)

InChIKey

XFJIYNUISLDNLP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 194098-25-4

CID: 9839190

Formula: C17H19N3O2

MW: 297.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	297.35
XLogP3	1.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	297.147726857
Monoisotopic Mass	297.147726857
Topological Polar Surface Area	74 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	418
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