TCS 5861528 5mg

CAT: 0628-A14126-5Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0628-A14126-5Size:5 mg

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

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CAS Number

332117-28-9

Chemical Information

Tcs 5861528

CAS Number	332117-28-9
PubChem CID	2873523
IUPAC Name	N-(4-butan-2-ylphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
Molecular Formula	C19H23N5O3
Molecular Weight	369.4
XLogP	2.2
Topological Polar Surface Area	87.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	590

SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C2C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C19H23N5O3/c1-5-12(2)13-6-8-14(9-7-13)21-15(25)10-24-11-20-17-16(24)18(26)23(4)19(27)22(17)3/h6-9,11-12H,5,10H2,1-4H3,(H,21,25)

InChIKey

ZUTUWJYMCADJHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 332117-28-9

CID: 2873523

Formula: C19H23N5O3

MW: 369.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	369.4
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	369.18008961
Monoisotopic Mass	369.18008961
Topological Polar Surface Area	87.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	590
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes