ChemDB: Chemical Search
Download
Chemical ID: 5011616
Chemical ID:
5011616
Name [?]:
2,3-diphenyl-N-(p-tolyl)quinoxaline-6-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)c2ccc3c(c2)nc(c(n3)c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C28H21N3O/c1-19-12-15-23(16-13-19)29-28(32)22-14-17-24-25(18-22)31-27(21-10-6-3-7-11-21)26(30-24)20-8-4-2-5-9-20/h2-18H,1H3,(H,29,32)
InChi Info:
AuxInfo=1/1/N:1,24,30,23,25,29,31,22,26,28,32,3,7,12,4,6,13,16,2,21,27,11,5,14,15,19,18,9,8,20,17,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(15,16)/rA:32nCCCCCCCNCOCCCCCCNCCNCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;s14;d11s15;d15;s17;d18;d14s19;s19;s21;d22;s23;d24;d21s25;s18;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H21N3O |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2462 |
Area: | 640.449 |
Solvation: | -2.76503 |
Coulombic: | -37.1611 |
Bond Count [?]
All: | 36 |
Single: | 21 |
Double: | 15 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 415.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 6.91 |
LogP (Chemaxon): | 6.91 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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 |
---|