Targocil

CAT: 0127-BUP09981-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP09981-02Size:10 mg

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

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CAS Number

1200443-21-5

MDL Number

MFCD19441262

Purity

=98%

Smiles

CCN(CC)c1nc2c(nnn2c2cc(OC)c(OC)cc12)S(=O)(=O)c1ccc(Cl)cc1

Storage Conditions

Store at -20°C

Chemical Information

3-(4-chlorophenylsulfonyl)-N,N-diethyl-7,8-dimethoxy-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

CAS Number	1200443-21-5
PubChem CID	44547009
IUPAC Name	3-(4-chlorophenyl)sulfonyl-N,N-diethyl-7,8-dimethoxytriazolo[1,5-a]quinazolin-5-amine
Molecular Formula	C21H22ClN5O4S
Molecular Weight	475.9
XLogP	4
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	32
Formal Charge	0
Complexity	728

SMILES

CCN(CC)C1=NC2=C(N=NN2C3=CC(=C(C=C31)OC)OC)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O4S/c1-5-26(6-2)19-15-11-17(30-3)18(31-4)12-16(15)27-20(23-19)21(24-25-27)32(28,29)14-9-7-13(22)8-10-14/h7-12H,5-6H2,1-4H3

InChIKey

TYNZGYMGTTUYKZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1200443-21-5

CID: 44547009

Formula: C21H22ClN5O4S

MW: 475.9

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	475.9
XLogP3	4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	475.1081031
Monoisotopic Mass	475.1081031
Topological Polar Surface Area	107 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	728
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