HZ-166

CAT: 0926-MZA52756-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-MZA52756-02Size:100 mg

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

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CAS Number

612527-56-7

Smiles

CCOC (=O) C1=C2CN=C (C3=C (N2C=N1) C=CC (=C3) C#C) C4=CC=CC=N4

Molecular Formula

C21H16N4O2

Molecular Weight

356.4 g/mol

Controlled

Yes

Chemical Information

HZ-166

CAS Number	612527-56-7
PubChem CID	10309028
IUPAC Name	ethyl 8-ethynyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
Molecular Formula	C21H16N4O2
Molecular Weight	356.4
XLogP	2.9
Topological Polar Surface Area	69.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	639

SMILES

CCOC(=O)C1=C2CN=C(C3=C(N2C=N1)C=CC(=C3)C#C)C4=CC=CC=N4

InChI

InChI=1S/C21H16N4O2/c1-3-14-8-9-17-15(11-14)19(16-7-5-6-10-22-16)23-12-18-20(21(26)27-4-2)24-13-25(17)18/h1,5-11,13H,4,12H2,2H3

InChIKey

ZSEDMNMFODMQRD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 612527-56-7

CID: 10309028

Formula: C21H16N4O2

MW: 356.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	356.4
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	356.12732577
Monoisotopic Mass	356.12732577
Topological Polar Surface Area	69.4 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	639
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