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Chemical ID: 7678866

Cc1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)OC

Chemical ID:

7678866

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)NC(=O)Cn2cnc3c(c2=O)nnn3c4cccc(c4)OC

InChi [?]:

InChI=1/C20H18N6O3/c1-13-6-8-14(9-7-13)22-17(27)11-25-12-21-19-18(20(25)28)23-24-26(19)15-4-3-5-16(10-15)29-2/h3-10,12H,11H2,1-2H3,(H,22,27)

InChi Info:

AuxInfo=1/1/N:1,29,24,23,25,3,7,4,6,27,11,13,2,5,22,26,9,16,15,17,14,8,19,20,12,21,10,18,28/E:(6,7)(8,9)/rA:29nCCCCCCCNCOCNCNCCCONNNCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;d13;s14;d15;s12s16;d17;s16;d19;s15s20;s21;s22;d23;s24;d25;d22s26;s26;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₈N₆O₃
All Atoms:	47
Heavy Atoms:	29
Chiral Atoms:	None

ZAP Information [?]

Total:	9.79545
Area:	606.149
Solvation:	-5.35828
Coulombic:	-54.8121

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.56
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