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Chemical ID: 7047039
Chemical ID:
7047039
Name [?]:
N-ethyl-N-(1-naphthyl)-2,3-diphenyl-quinoxaline-6-carboxamide
SMILES [?]:
CCN(c1cccc2c1cccc2)C(=O)c3ccc4c(c3)nc(c(n4)c5ccccc5)c6ccccc6
InChi [?]:
InChI=1/C33H25N3O/c1-2-36(30-19-11-17-23-12-9-10-18-27(23)30)33(37)26-20-21-28-29(22-26)35-32(25-15-7-4-8-16-25)31(34-28)24-13-5-3-6-14-24/h3-22H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,29,35,28,30,34,36,12,11,6,13,27,31,33,37,7,10,5,17,18,21,8,26,32,16,9,19,20,4,24,23,14,25,22,3,15/E:(5,6)(7,8)(13,14)(15,16)/rA:37nCCNCCCCCCCCCCCOCCCCCCNCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s3;d14;s14;s16;d17;s18;s19;d16s20;d20;s22;d23;d19s24;s24;s26;d27;s28;d29;d26s30;s23;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C33H25N3O |
All Atoms: | 62 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.4985 |
Area: | 684.724 |
Solvation: | -2.61964 |
Coulombic: | -34.7782 |
Bond Count [?]
All: | 42 |
Single: | 25 |
Double: | 17 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 479.571 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 8.31 |
LogP (Chemaxon): | 7.56 |
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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