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Chemical ID: 4368086

Cc1c(c2ccccc2n1C)C=C3C(=O)NC(=O)N(C3=O)c4ccc(cc4)OC

Chemical ID:

4368086

Name [?]:

5-[(1,2-dimethylindol-3-yl)methylene]-1-(4-methoxyphenyl)-hexahydropyrimidine-2,4,6-trione

SMILES [?]:

Cc1c(c2ccccc2n1C)C=C3C(=O)NC(=O)N(C3=O)c4ccc(cc4)OC

InChi [?]:

InChI=1/C22H19N3O4/c1-13-17(16-6-4-5-7-19(16)24(13)2)12-18-20(26)23-22(28)25(21(18)27)14-8-10-15(29-3)11-9-14/h4-12H,1-3H3,(H,23,26,28)

InChi Info:

AuxInfo=1/1/N:1,11,29,6,7,5,8,23,27,24,26,12,2,22,25,4,3,13,9,14,20,17,16,10,19,15,21,18,28/E:(8,9)(10,11)/rA:29nCCCCCCCCCNCCCCONCONCOCCCCCCOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s3;w12;s13;d14;s14;s16;d17;s17;s13s19;d20;s19;s22;d23;s24;d25;d22s26;s25;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₁₉N₃O₄
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	9.27615
Area:	573.828
Solvation:	-5.06955
Coulombic:	-59.7762

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	3
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	389.404
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	2.93
LogP (Chemaxon):	3.03

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value