Ly 344864 racemate

CAT: 0926-LHA54364-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-LHA54364-01Size:50 mg

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CAS Number

186543-64-6

MDL Number

MFCD31619294

Smiles

CN (C) C1CCC2=C (C1) C3=C (N2) C=CC (=C3) NC (=O) C4=CC=C (C=C4) F

Molecular Formula

C21H22FN3O

Molecular Weight

351.4 g/mol

Controlled

Chemical Information

LY 344864 racemate

CAS Number	186543-64-6
PubChem CID	18971832
IUPAC Name	N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
Molecular Formula	C21H22FN3O
Molecular Weight	351.4
XLogP	3.8
Topological Polar Surface Area	48.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	26
Formal Charge	0
Complexity	505

SMILES

CN(C)C1CCC2=C(C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H22FN3O/c1-25(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)24-20)23-21(26)13-3-5-14(22)6-4-13/h3-7,9,11,16,24H,8,10,12H2,1-2H3,(H,23,26)

InChIKey

GKWHICIUSVVNGX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 186543-64-6

CID: 18971832

Formula: C21H22FN3O

MW: 351.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	351.4
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	351.17469050
Monoisotopic Mass	351.17469050
Topological Polar Surface Area	48.1 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	505
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes