ChemDB: Chemical Search
Download
Chemical ID: 7047146
Chemical ID:
7047146
Name [?]:
2,3-diphenyl-N-(2-pyrrol-1-ylphenyl)-quinoxaline-6-carboxamide
SMILES [?]:
c1ccc(cc1)c2c(nc3cc(ccc3n2)C(=O)Nc4ccccc4n5cccc5)c6ccccc6
InChi [?]:
InChI=1/C31H22N4O/c36-31(34-26-15-7-8-16-28(26)35-19-9-10-20-35)24-17-18-25-27(21-24)33-30(23-13-5-2-6-14-23)29(32-25)22-11-3-1-4-12-22/h1-21H,(H,34,36)
InChi Info:
AuxInfo=1/1/N:1,34,2,6,33,35,22,23,28,29,3,5,32,36,21,24,13,14,27,30,11,4,31,12,15,20,10,25,7,8,17,16,9,19,26,18/E:(3,4)(5,6)(9,10)(11,12)(13,14)(19,20)/rA:36nCCCCCCCCNCCCCCCNCONCCCCCCNCCCCCCCCCC/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;s25;s26;d27;s28;s26d29;s8;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H22N4O |
All Atoms: | 58 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.3428 |
Area: | 693.378 |
Solvation: | -2.99161 |
Coulombic: | -42.8384 |
Bond Count [?]
All: | 41 |
Single: | 24 |
Double: | 17 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 466.533 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 7.14 |
LogP (Chemaxon): | 7.11 |
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 |
---|