ChemDB: Chemical Search
Download
Chemical ID: 7047096
Chemical ID:
7047096
Name [?]:
N-(4-nitrophenyl)-2,3-diphenyl-quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4ccc(cc4)[N+](=O)[O-])c5ccccc5
InChi [?]:
InChI=1/C27H18N4O3/c32-27(28-21-12-14-22(15-13-21)31(33)34)20-11-16-23-24(17-20)30-26(19-9-5-2-6-10-19)25(29-23)18-7-3-1-4-8-18/h1-17H,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,32,2,6,31,33,3,5,30,34,13,21,25,22,24,14,11,4,29,12,20,23,15,10,7,8,17,19,16,9,26,18,27,28/E:(3,4)(5,6)(7,8)(9,10)(12,13)(14,15)(33,34)/CRV:31.5/rA:34nCCCCCCCCNCCCCCCNCONCCCCCCN+OO-CCCCCC/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;s23;d26;s26;s8;s29;d30;s31;d32;d29s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H18N4O3 |
All Atoms: | 52 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.49485 |
Area: | 669.998 |
Solvation: | -8.25508 |
Coulombic: | -47.6868 |
Bond Count [?]
All: | 38 |
Single: | 22 |
Double: | 16 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 446.457 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 6.24 |
LogP (Chemaxon): | 6.4 |
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 |
---|