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Chemical ID: 7679305

CCOc1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)OC

Chemical ID:

7679305

Name [?]:

None

SMILES [?]:

CCOc1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)OC

InChi [?]:

InChI=1/C21H20N6O4/c1-3-31-17-8-4-14(5-9-17)23-18(28)12-26-13-22-20-19(21(26)29)24-25-27(20)15-6-10-16(30-2)11-7-15/h4-11,13H,3,12H2,1-2H3,(H,23,28)

InChi Info:

AuxInfo=1/1/N:1,31,2,6,8,25,29,5,9,26,28,13,15,7,24,27,4,11,18,17,19,16,10,21,22,14,23,12,20,30,3/E:(4,5)(6,7)(8,9)(10,11)/rA:31nCCOCCCCCCNCOCNCNCCCONNNCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;s13;s14;d15;s16;d17;s14s18;d19;s18;d21;s17s22;s23;s24;d25;s26;d27;d24s28;s27;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₀N₆O₄
All Atoms:	51
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	9.83699
Area:	650.885
Solvation:	-6.43514
Coulombic:	-61.4909

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	8
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.46
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