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Chemical ID: 4299567

Chemical ID:

4299567

Name [?]:

5-[(3,4,5-trimethoxyphenyl)methylene]imidazolidine-2,4-dione

SMILES [?]:

COc1cc(cc(c1OC)OC)C=C2C(=O)NC(=O)N2

InChi [?]:

InChI=1/C13H14N2O5/c1-18-9-5-7(6-10(19-2)11(9)20-3)4-8-12(16)15-13(17)14-8/h4-6H,1-3H3,(H2,14,15,16,17)

InChi Info:

AuxInfo=1/1/N:1,12,10,13,4,6,5,14,3,7,8,15,18,20,17,16,19,2,11,9/E:(1,2)(5,6)(9,10)(18,19)/rA:20nCOCCCCCCOCOCCCCONCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s7;s11;s5;w13;s14;d15;s15;s17;d18;s14s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₄N₂O₅
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	4.28829
Area:	443.911
Solvation:	-6.8095
Coulombic:	-64.0881

Bond Count [?]

All:	21
Single:	15
Double:	6
Rotors:	4
Chiral:	1
Rigid Segments:	5

Chemical Properties

Molecular Weight:	278.261
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	0.42
LogP (Chemaxon):	0.07

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value