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Chemical ID: 7261278
Chemical ID:
7261278
Name [?]:
N-(2,4-dimethoxyphenyl)-2,3-diethyl-quinoxaline-6-carboxamide
SMILES [?]:
CCc1c(nc2cc(ccc2n1)C(=O)Nc3ccc(cc3OC)OC)CC
InChi [?]:
InChI=1/C21H23N3O3/c1-5-15-16(6-2)23-19-11-13(7-9-17(19)22-15)21(25)24-18-10-8-14(26-3)12-20(18)27-4/h7-12H,5-6H2,1-4H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,25,23,2,26,9,18,10,17,7,20,8,19,3,4,11,16,6,21,13,12,5,15,14,24,22/rA:27nCCCCNCCCCCCNCONCCCCCCOCOCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;d3s11;s8;d13;s13;s15;s16;d17;s18;d19;d16s20;s21;s22;s19;s24;s4;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H23N3O3 |
All Atoms: | 50 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4639 |
Area: | 594.7 |
Solvation: | -4.40363 |
Coulombic: | -46.7292 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 365.426 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.38 |
LogP (Chemaxon): | 3.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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