Chemical ID: 4569787

COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=N)CCc4ccc(c(c4)OC)OC
Chemical ID:
4569787
Name [?]:
None
SMILES [?]:
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(c1=N)CCc4ccc(c(c4)OC)OC
InChi [?]:
InChI=1/C26H29N5O5/c1-34-14-6-11-28-25(32)18-16-19-24(29-22-7-4-5-12-30(22)26(19)33)31(23(18)27)13-10-17-8-9-20(35-2)21(15-17)36-3/h4-5,7-9,12,15-16,27H,6,10-11,13-14H2,1-3H3,(H,28,32)
InChi Info:
AuxInfo=1/1/N:1,36,34,16,17,4,15,28,29,26,5,18,25,3,32,10,27,9,11,30,31,14,23,12,7,20,24,6,13,19,22,8,21,2,35,33/rA:36nCOCCCNCOCCCCNCCCCCNCONCNCCCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;d9;s10;d11;s12;d13;s14;d15;s16;d17;s14s18;s11s19;d20;s12;s9s22;w23;s22;s25;s26;s27;d28;s29;d30;d27s31;s31;s33;s30;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H29N5O5
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:10.7213
Area:750.295
Solvation:-8.03605
Coulombic:-83.4936
Bond Count [?]
All:39
Single:28
Double:11
Rotors:11
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:491.539
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.48
LogP (Chemaxon):2.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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