TDI-011536 5mg

CAT: 0628-A13959-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A13959-5Size:5 mg

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

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CAS Number

2687970-96-1

Chemical Information

(Z)-N-(3-Benzyl-4-(hydroxymethyl)thiazol-2(3H)-ylidene)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

CAS Number	2687970-96-1
PubChem CID	156824399
IUPAC Name	N-[3-benzyl-4-(hydroxymethyl)-1,3-thiazol-2-ylidene]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
Molecular Formula	C19H16N4O2S
Molecular Weight	364.4
XLogP	2.2
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	26
Formal Charge	0
Complexity	588

SMILES

C1=CC=C(C=C1)CN2C(=CSC2=NC(=O)C3=CNC4=C3C=CC=N4)CO

InChI

InChI=1S/C19H16N4O2S/c24-11-14-12-26-19(23(14)10-13-5-2-1-3-6-13)22-18(25)16-9-21-17-15(16)7-4-8-20-17/h1-9,12,24H,10-11H2,(H,20,21)

InChIKey

LJNPGPUDPDQGLE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2687970-96-1

CID: 156824399

Formula: C19H16N4O2S

MW: 364.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	364.4
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	364.09939694
Monoisotopic Mass	364.09939694
Topological Polar Surface Area	107 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	588
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