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Chemical ID: 7674588

Cc1cc(c2c(nn(c2n1)c3ccccc3)C)C(=O)Nc4ccn(n4)Cc5ccccc5

Chemical ID:

7674588

Name [?]:

None

SMILES [?]:

Cc1cc(c2c(nn(c2n1)c3ccccc3)C)C(=O)Nc4ccn(n4)Cc5ccccc5

InChi [?]:

InChI=1/C25H22N6O/c1-17-15-21(23-18(2)28-31(24(23)26-17)20-11-7-4-8-12-20)25(32)27-22-13-14-30(29-22)16-19-9-5-3-6-10-19/h3-15H,16H2,1-2H3,(H,27,29,32)

InChi Info:

AuxInfo=1/1/N:1,17,30,14,29,31,13,15,28,32,12,16,22,23,3,26,2,6,27,11,4,21,5,9,18,10,20,7,25,24,8,19/E:(5,6)(7,8)(9,10)(11,12)/rA:32nCCCCCCNNCNCCCCCCCCONCCCNNCCCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d5s8;d2s9;s8;s11;d12;s13;d14;d11s15;s6;s4;d18;s18;s20;s21;d22;s23;d21s24;s24;s26;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₂N₆O
All Atoms:	54
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	12.6589
Area:	657.888
Solvation:	-3.78832
Coulombic:	-37.803

Bond Count [?]

All:	36
Single:	23
Double:	13
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	5.03
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