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Chemical ID: 7729505

COc1ccc(cc1OC)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc(cc4F)F)nn2

Chemical ID:

7729505

Name [?]:

None

SMILES [?]:

COc1ccc(cc1OC)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc(cc4F)F)nn2

InChi [?]:

InChI=1/C20H16F2N6O4/c1-31-15-6-4-12(8-16(15)32-2)28-19-18(25-26-28)20(30)27(10-23-19)9-17(29)24-14-5-3-11(21)7-13(14)22/h3-8,10H,9H2,1-2H3,(H,24,29)

InChi Info:

AuxInfo=1/1/N:1,10,25,5,24,4,27,7,19,17,26,6,28,23,3,8,20,13,12,14,30,29,18,22,31,32,16,11,21,15,2,9/rA:32nCOCCCCCCOCNCCCONCNCCONCCCCCCFFNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;s14;s16;s12d17;s16;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s26;s13;s11d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₆F₂N₆O₄
All Atoms:	48
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	7.28303
Area:	633.56
Solvation:	-8.55596
Coulombic:	-67.3486

Bond Count [?]

All:	35
Single:	24
Double:	11
Rotors:	7
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.09
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