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Chemical ID: 7047037
Chemical ID:
7047037
Name [?]:
N-(3-chloro-2-methyl-phenyl)-2,3-diphenyl-quinoxaline-6-carboxamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)c2ccc3c(c2)nc(c(n3)c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C28H20ClN3O/c1-18-22(29)13-8-14-23(18)32-28(33)21-15-16-24-25(17-21)31-27(20-11-6-3-7-12-20)26(30-24)19-9-4-2-5-10-19/h2-17H,1H3,(H,32,33)
InChi Info:
AuxInfo=1/1/N:1,25,31,24,26,30,32,5,23,27,29,33,6,4,13,14,17,2,22,28,12,7,3,15,16,20,19,10,8,21,18,9,11/E:(4,5)(6,7)(9,10)(11,12)/rA:33nCCCCCCCClNCOCCCCCCNCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;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: | C28H20ClN3O |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.0005 |
Area: | 665.001 |
Solvation: | -2.62455 |
Coulombic: | -37.6089 |
Bond Count [?]
All: | 37 |
Single: | 22 |
Double: | 15 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 449.931 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.32 |
LogP (Chemaxon): | 6.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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