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Chemical ID: 7047066

Cc1cccc(c1C)NC(=O)c2ccc3c(c2)nc(c(n3)c4ccccc4)c5ccccc5

Chemical ID:

7047066

Name [?]:

N-(2,3-dimethylphenyl)-2,3-diphenyl-quinoxaline-6-carboxamide

SMILES [?]:

Cc1cccc(c1C)NC(=O)c2ccc3c(c2)nc(c(n3)c4ccccc4)c5ccccc5

InChi [?]:

InChI=1/C29H23N3O/c1-19-10-9-15-24(20(19)2)32-29(33)23-16-17-25-26(18-23)31-28(22-13-7-4-8-14-22)27(30-25)21-11-5-3-6-12-21/h3-18H,1-2H3,(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,8,25,31,24,26,30,32,4,3,23,27,29,33,5,13,14,17,2,7,22,28,12,6,15,16,20,19,10,21,18,9,11/E:(5,6)(7,8)(11,12)(13,14)/rA:33nCCCCCCCCNCOCCCCCCNCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s9;d10;s10;s12;d13;s14;s15;d12s16;d16;s18;d19;d15s20;s20;s22;d23;s24;d25;d22s26;s19;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₃N₃O
All Atoms:	56
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.6672
Area:	655.805
Solvation:	-2.72788
Coulombic:	-37.1154

Bond Count [?]

All:	37
Single:	22
Double:	15
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	429.513
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	7.14
LogP (Chemaxon):	6.73

Name Annotations

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

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