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Chemical ID: 5797874
Chemical ID:
5797874
Name [?]:
N-(3-bromophenyl)-2,3-diphenyl-quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4cccc(c4)Br)c5ccccc5
InChi [?]:
InChI=1/C27H18BrN3O/c28-21-12-7-13-22(17-21)29-27(32)20-14-15-23-24(16-20)31-26(19-10-5-2-6-11-19)25(30-23)18-8-3-1-4-9-18/h1-17H,(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,30,2,6,29,31,22,3,5,28,32,23,21,13,14,11,25,4,27,12,24,20,15,10,7,8,17,26,19,16,9,18/E:(3,4)(5,6)(8,9)(10,11)/rA:32nCCCCCCCCNCCCCCCNCONCCCCCCBrCCCCCC/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;s8;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H18BrN3O |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5489 |
Area: | 649.496 |
Solvation: | -2.68847 |
Coulombic: | -37.1895 |
Bond Count [?]
All: | 36 |
Single: | 21 |
Double: | 15 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 480.355 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.27 |
LogP (Chemaxon): | 7.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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