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Chemical ID: 7677981

Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCO5)nn2

Chemical ID:

7677981

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCO5)nn2

InChi [?]:

InChI=1/C20H16N6O4/c1-12-2-5-14(6-3-12)26-19-18(23-24-26)20(28)25(10-21-19)9-17(27)22-13-4-7-15-16(8-13)30-11-29-15/h2-8,10H,9,11H2,1H3,(H,22,27)

InChi Info:

AuxInfo=1/1/N:1,3,7,21,4,6,22,25,16,14,27,2,20,5,23,24,17,10,9,11,15,19,29,30,13,8,18,12,28,26/E:(2,3)(5,6)/rA:30nCCCCCCCNCCCONCNCCONCCCCCCOCONN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s24;s26;s23s27;s10;s8d29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₆N₆O₄
All Atoms:	46
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	9.6914
Area:	609.653
Solvation:	-5.54992
Coulombic:	-63.3729

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.4
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