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Chemical ID: 7047034
Chemical ID:
7047034
Name [?]:
N-(3,5-dichlorophenyl)-2,3-diphenyl-quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4cc(cc(c4)Cl)Cl)c5ccccc5
InChi [?]:
InChI=1/C27H17Cl2N3O/c28-20-14-21(29)16-22(15-20)30-27(33)19-11-12-23-24(13-19)32-26(18-9-5-2-6-10-18)25(31-23)17-7-3-1-4-8-17/h1-16H,(H,30,33)
InChi Info:
AuxInfo=1/1/N:1,31,2,6,30,32,3,5,29,33,13,14,11,23,21,25,4,28,12,22,24,20,15,10,7,8,17,27,26,19,16,9,18/E:(3,4)(5,6)(7,8)(9,10)(15,16)(20,21)(28,29)/rA:33nCCCCCCCCNCCCCCCNCONCCCCCCClClCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d11;s12;d13;d10s14;d7s15;s12;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s22;s8;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H17Cl2N3O |
All Atoms: | 50 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.5246 |
Area: | 689.159 |
Solvation: | -2.70438 |
Coulombic: | -37.2892 |
Bond Count [?]
All: | 37 |
Single: | 22 |
Double: | 15 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 470.349 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.72 |
LogP (Chemaxon): | 7.48 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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