J22352

CAT: 0926-CQD39544-02Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-CQD39544-02Size:100 mg

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

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CAS Number

2252395-44-9

Smiles

C1=CC=C (C=C1) CCN2C (=O) C3=CC=CC=C3N (C2=O) CC4=CC=C (C=C4) C (=O) NO

Molecular Formula

C24H21N3O4

Molecular Weight

415.4 g/mol

Controlled

Chemical Information

4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide

CAS Number	2252395-44-9
PubChem CID	138377601
IUPAC Name	4-[[2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
Molecular Formula	C24H21N3O4
Molecular Weight	415.4
XLogP	3
Topological Polar Surface Area	90
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	31
Formal Charge	0
Complexity	655

SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N(C2=O)CC4=CC=C(C=C4)C(=O)NO

InChI

InChI=1S/C24H21N3O4/c28-22(25-31)19-12-10-18(11-13-19)16-27-21-9-5-4-8-20(21)23(29)26(24(27)30)15-14-17-6-2-1-3-7-17/h1-13,31H,14-16H2,(H,25,28)

InChIKey

JBJIKUXUKSADFV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2252395-44-9

CID: 138377601

Formula: C24H21N3O4

MW: 415.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	415.4
XLogP3	3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	415.15320616
Monoisotopic Mass	415.15320616
Topological Polar Surface Area	90 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	655
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