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Chemical ID: 7677767

CC(=O)c1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4ccccc4

Chemical ID:

7677767

Name [?]:

None

SMILES [?]:

CC(=O)c1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4ccccc4

InChi [?]:

InChI=1/C20H16N6O3/c1-13(27)14-7-9-15(10-8-14)22-17(28)11-25-12-21-19-18(20(25)29)23-24-26(19)16-5-3-2-4-6-16/h2-10,12H,11H2,1H3,(H,22,28)

InChi Info:

AuxInfo=1/1/N:1,27,26,28,25,29,5,9,6,8,13,15,2,4,7,24,11,18,17,19,16,10,21,22,14,23,3,12,20/E:(3,4)(5,6)(7,8)(9,10)/rA:29nCCOCCCCCCNCOCNCNCCCONNNCCCCCC/rB:s1;d2;s2;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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₆N₆O₃
All Atoms:	45
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	10.1195
Area:	607.645
Solvation:	-5.07165
Coulombic:	-55.413

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.05
LogP (Chemaxon):	None

Name Annotations

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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