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Chemical ID: 7047066
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
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Experimental Annotations
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Descriptor Annotations
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