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Chemical ID: 7729466

Cc1ccc(cc1C)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCCO5)nn2

Chemical ID:

7729466

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1C)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc5c(c4)OCCO5)nn2

InChi [?]:

InChI=1/C22H20N6O4/c1-13-3-5-16(9-14(13)2)28-21-20(25-26-28)22(30)27(12-23-21)11-19(29)24-15-4-6-17-18(10-15)32-8-7-31-17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,24,29)

InChi Info:

AuxInfo=1/1/N:1,8,3,22,4,23,29,28,6,26,17,15,2,7,21,5,24,25,18,11,10,12,16,20,31,32,14,9,19,13,30,27/rA:32nCCCCCCCCNCCCONCNCCONCCCCCCOCCONN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s25;s27;s28;s24s29;s11;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₀N₆O₄
All Atoms:	52
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	10.6115
Area:	645.708
Solvation:	-5.53117
Coulombic:	-63.3435

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.7
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