Deschlorometizolam

CAT: 0013-GTR19252942-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19252942-01Size:10 mg

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Description

Deschlorometizolam is a thienodiazepine compound.

CAS Number

40054-74-8

Smiles

N=1N=C2N (C1) C=3SC (=CC3C (=NC2) C=4C=CC=CC4) CC

Molecular Formula

C16H14N4S

Molecular Weight

294.37

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Hed56F543A

CAS Number	40054-74-8
PubChem CID	12434316
IUPAC Name	4-ethyl-7-phenyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
Molecular Formula	C16H14N4S
Molecular Weight	294.4
XLogP	3
Topological Polar Surface Area	71.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	21
Formal Charge	0
Complexity	407

SMILES

CCC1=CC2=C(S1)N3C=NN=C3CN=C2C4=CC=CC=C4

InChI

InChI=1S/C16H14N4S/c1-2-12-8-13-15(11-6-4-3-5-7-11)17-9-14-19-18-10-20(14)16(13)21-12/h3-8,10H,2,9H2,1H3

InChIKey

SEGVEKZSDLRIRZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 40054-74-8

CID: 12434316

Formula: C16H14N4S

MW: 294.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.4
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	294.09391764
Monoisotopic Mass	294.09391764
Topological Polar Surface Area	71.3 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	407
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
TYD-02544-01	Deschlorometizolam