Chemical ID: 7704828

Cc1ccc(cc1)c2c(n3cccnc3n2)NC(=O)c4cc(c(c(c4)OC)OC)OC
Chemical ID:
7704828
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)c2c(n3cccnc3n2)NC(=O)c4cc(c(c(c4)OC)OC)OC
InChi [?]:
InChI=1/C23H22N4O4/c1-14-6-8-15(9-7-14)19-21(27-11-5-10-24-23(27)25-19)26-22(28)16-12-17(29-2)20(31-4)18(13-16)30-3/h5-13H,1-4H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,27,31,29,12,3,7,4,6,13,11,25,21,2,5,20,24,22,8,23,9,18,15,14,16,17,10,19,26,30,28/E:(2,3)(6,7)(8,9)(12,13)(17,18)(29,30)/rA:31nCCCCCCCCCNCCCNCNNCOCCCCCCOCOCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s12;d13;s10s14;s8d15;s9;s17;d18;s18;s20;d21;s22;d23;d20s24;s24;s26;s23;s28;s22;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H22N4O4
All Atoms:53
Heavy Atoms:31
Chiral Atoms:None
ZAP Information [?]
Total:8.16781
Area:633.612
Solvation:-7.67248
Coulombic:-60.3715
Bond Count [?]
All:34
Single:23
Double:11
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.49
LogP (Chemaxon):None

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