SGC707

CAT: 0127-BUP11109-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP11109-02Size:25 mg

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

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CAS Number

1687736-54-4

Purity

=98%

Smiles

O=C(NCC(=O)N1CCCC1)Nc1ccc2cnccc2c1

Chemical Information

Sgc707

structure in first source

CAS Number	1687736-54-4
PubChem CID	90642938
IUPAC Name	1-isoquinolin-6-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
Molecular Formula	C16H18N4O2
Molecular Weight	298.34
XLogP	1.1
Topological Polar Surface Area	74.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	409

SMILES

C1CCN(C1)C(=O)CNC(=O)NC2=CC3=C(C=C2)C=NC=C3

InChI

InChI=1S/C16H18N4O2/c21-15(20-7-1-2-8-20)11-18-16(22)19-14-4-3-13-10-17-6-5-12(13)9-14/h3-6,9-10H,1-2,7-8,11H2,(H2,18,19,22)

InChIKey

DMIDPTCQPIJYFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1687736-54-4

CID: 90642938

Formula: C16H18N4O2

MW: 298.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	298.34
XLogP3	1.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	298.14297583
Monoisotopic Mass	298.14297583
Topological Polar Surface Area	74.3 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	409
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
bs-82344C-01	SGC707