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Chemical ID: 7677970

Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4cc(ccc4OC)OC)nn2

Chemical ID:

7677970

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4cc(ccc4OC)OC)nn2

InChi [?]:

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

InChi Info:

AuxInfo=1/1/N:1,29,27,3,7,4,6,23,24,21,16,14,2,5,22,20,25,17,10,9,11,15,19,30,31,13,8,18,12,28,26/E:(4,5)(6,7)/rA:31nCCCCCCCNCCCONCNCCONCCCCCCOCOCNN/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;s25;s26;s22;s28;s10;s8d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

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

ZAP Information [?]

Total:	9.68472
Area:	642.112
Solvation:	-6.36809
Coulombic:	-61.9484

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.47
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