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Chemical ID: 5501398

Chemical ID:

5501398

Name [?]:

5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-imidazolidine-2,4-dione

SMILES [?]:

CC1(C(=O)NC(=O)N1)Cc2ccc(c(c2)OC)OC

InChi [?]:

InChI=1/C13H16N2O4/c1-13(11(16)14-12(17)15-13)7-8-4-5-9(18-2)10(6-8)19-3/h4-6H,7H2,1-3H3,(H2,14,15,16,17)

InChi Info:

AuxInfo=1/1/N:1,19,17,11,12,15,9,10,13,14,3,6,2,5,8,4,7,18,16/rA:19cCCCONCONCCCCCCCOCOC/rB:s1;s2;d3;s3;s5;d6;s2s6;s2;s9;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₁₆N₂O₄
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	4.81961
Area:	427.531
Solvation:	-5.86867
Coulombic:	-56.9083

Bond Count [?]

All:	20
Single:	15
Double:	5
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	264.277
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	0.33
LogP (Chemaxon):	0.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value