Chemical ID: 7261278

CCc1c(nc2cc(ccc2n1)C(=O)Nc3ccc(cc3OC)OC)CC
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue