EML 425 50mg

CAT: 0628-A16180-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A16180-50Size:50 mg

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CAS Number

1675821-32-5

Chemical Information

1,3-Dibenzyl-5-(4-hydroxy-2,6-dimethylbenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione

CAS Number	1675821-32-5
PubChem CID	91826273
IUPAC Name	1,3-dibenzyl-5-[(4-hydroxy-2,6-dimethylphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Molecular Formula	C27H24N2O4
Molecular Weight	440.5
XLogP	4.7
Topological Polar Surface Area	77.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	33
Formal Charge	0
Complexity	710

SMILES

CC1=CC(=CC(=C1C=C2C(=O)N(C(=O)N(C2=O)CC3=CC=CC=C3)CC4=CC=CC=C4)C)O

InChI

InChI=1S/C27H24N2O4/c1-18-13-22(30)14-19(2)23(18)15-24-25(31)28(16-20-9-5-3-6-10-20)27(33)29(26(24)32)17-21-11-7-4-8-12-21/h3-15,30H,16-17H2,1-2H3

InChIKey

LUGQBJDYUPNAQQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1675821-32-5

CID: 91826273

Formula: C27H24N2O4

MW: 440.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	440.5
XLogP3	4.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	440.17360725
Monoisotopic Mass	440.17360725
Topological Polar Surface Area	77.9 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	710
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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