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Chemical ID: 7677986

Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCCO5)nn2

Chemical ID:

7677986

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCCO5)nn2

InChi [?]:

InChI=1/C21H18N6O4/c1-13-2-5-15(6-3-13)27-20-19(24-25-27)21(29)26(12-22-20)11-18(28)23-14-4-7-16-17(10-14)31-9-8-30-16/h2-7,10,12H,8-9,11H2,1H3,(H,23,28)

InChi Info:

AuxInfo=1/1/N:1,3,7,21,4,6,22,28,27,25,16,14,2,20,5,23,24,17,10,9,11,15,19,30,31,13,8,18,12,29,26/E:(2,3)(5,6)/rA:31nCCCCCCCNCCCONCNCCONCCCCCCOCCONN/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;s27;s23s28;s10;s8d30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₈N₆O₄
All Atoms:	49
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	10.1312
Area:	625.718
Solvation:	-5.51174
Coulombic:	-63.5615

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.26
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