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Chemical ID: 7679149

COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)OCc4ccccc4)nn2

Chemical ID:

7679149

Name [?]:

None

SMILES [?]:

COc1cccc(c1)n2c3c(c(=O)n(cn3)CC(=O)OCc4ccccc4)nn2

InChi [?]:

InChI=1/C20H17N5O4/c1-28-16-9-5-8-15(10-16)25-19-18(22-23-25)20(27)24(13-21-19)11-17(26)29-12-14-6-3-2-4-7-14/h2-10,13H,11-12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,25,24,26,5,23,27,6,4,8,17,21,15,22,7,3,18,11,10,12,16,28,29,14,9,19,13,2,20/E:(3,4)(6,7)/rA:29nCOCCCCCCNCCCONCNCCOOCCCCCCCNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;s22;d23;s24;d25;d22s26;s11;s9d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇N₅O₄
All Atoms:	46
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	10.3568
Area:	619.602
Solvation:	-5.13329
Coulombic:	-54.6692

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.8
LogP (Chemaxon):	None

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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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