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Chemical ID: 7679853

CCOc1ccc(cc1OCC)Cc2nc3c4c(ncn3n2)Oc5c(c([nH]n5)C)C4c6cnn(c6)C

Chemical ID:

7679853

Name [?]:

None

SMILES [?]:

CCOc1ccc(cc1OCC)Cc2nc3c4c(ncn3n2)Oc5c(c([nH]n5)C)C4c6cnn(c6)C

InChi [?]:

InChI=1/C25H26N8O3/c1-5-34-17-8-7-15(9-18(17)35-6-2)10-19-28-23-22-21(16-11-27-32(4)12-16)20-14(3)29-30-25(20)36-24(22)26-13-33(23)31-19/h7-9,11-13,21H,5-6,10H2,1-4H3,(H,29,30)

InChi Info:

AuxInfo=1/1/N:1,12,29,36,2,11,6,5,8,13,32,35,20,26,7,31,4,9,14,25,30,17,16,18,24,19,33,15,27,28,22,34,21,3,10,23/rA:36cCCOCCCCCCOCCCCNCCCNCNNOCCCNNCCCCNNCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s7;s13;s14;d15;s16;d17;s18;d19;s16s20;d14s21;s18;s23;s24;d25;s26;d24s27;s26;s17s25;s30;s31;d32;s33;d31s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₆N₈O₃
All Atoms:	62
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	8.85975
Area:	677.96
Solvation:	-8.08926
Coulombic:	-50.0575

Bond Count [?]

All:	41
Single:	30
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	2.81
LogP (Chemaxon):	None

Name Annotations

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

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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

Chemical Mix	Source	External ID	Descriptor	Value