Chemical ID: 5513482

COc1ccc(c(c1)N2C(=NC23c4ccccc4NC3=O)NC5=NC6=Nc7ccccc7C6=N5)OC
Chemical ID:
5513482
Name [?]:
None
SMILES [?]:
COc1ccc(c(c1)N2C(=NC23c4ccccc4NC3=O)NC5=NC6=Nc7ccccc7C6=N5)OC
InChi [?]:
InChI=1/C26H19N7O3/c1-35-14-11-12-20(36-2)19(13-14)33-25(32-26(33)16-8-4-6-10-18(16)28-23(26)34)31-24-29-21-15-7-3-5-9-17(15)27-22(21)30-24/h3-13H,1-2H3,(H,28,34)(H,27,29,30,31,32)
InChi Info:
AuxInfo=1/1/N:1,36,30,15,29,16,31,14,28,17,4,5,8,3,32,13,27,18,7,6,33,25,20,23,10,12,26,19,34,24,22,11,9,21,2,35/rA:36cCOCCCCCCNCNCCCCCCCNCONCNCNCCCCCCCNOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s9s11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s10;s22;d23;s24;d25;s26;s27;d28;s29;d30;d27s31;s25s32;s23d33;s6;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H19N7O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:11.4989
Area:681.906
Solvation:-5.54872
Coulombic:-81.6751
Bond Count [?]
All:42
Single:28
Double:14
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:477.474
H-Bond Donors:2
H-Bond Acceptors:10
XLogP:3.01
LogP (Chemaxon):7.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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