T-26c 1mg

CAT: 0628-A12853-1Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0628-A12853-1Size:1 mg

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CAS Number

869296-13-9

Chemical Information

4-(((2-((3-Methoxybenzyl)carbamoyl)-4-oxo-1,4-dihydrothieno[2,3-d]pyrimidin-5-yl)methoxy)methyl)benzoic acid

CAS Number	869296-13-9
PubChem CID	11525848
IUPAC Name	4-[[2-[(3-methoxyphenyl)methylcarbamoyl]-4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl]methoxymethyl]benzoic acid
Molecular Formula	C24H21N3O6S
Molecular Weight	479.5
XLogP	2.6
Topological Polar Surface Area	155
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Heavy Atom Count	34
Formal Charge	0
Complexity	785

SMILES

COC1=CC=CC(=C1)CNC(=O)C2=NC3=C(C(=CS3)COCC4=CC=C(C=C4)C(=O)O)C(=O)N2

InChI

InChI=1S/C24H21N3O6S/c1-32-18-4-2-3-15(9-18)10-25-22(29)20-26-21(28)19-17(13-34-23(19)27-20)12-33-11-14-5-7-16(8-6-14)24(30)31/h2-9,13H,10-12H2,1H3,(H,25,29)(H,30,31)(H,26,27,28)

InChIKey

CDQRIIUMNLMHRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 869296-13-9

CID: 11525848

Formula: C24H21N3O6S

MW: 479.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	479.5
XLogP3	2.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	9
Exact Mass	479.11510657
Monoisotopic Mass	479.11510657
Topological Polar Surface Area	155 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	785
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

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Alternative Products

Catalog	Name
BA8022-25	T-26c
BT163666	T 26c disodium
HY-100518A	T 26c (sodium)
HY-100518R	T-26c (Standard)
T37860-01	T 26c sodium
574927	T-26c disodium
MBS5798659	T 26c disodium salt

T-26c 1mg

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