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Chemical ID: 7678353

COc1ccc(cc1OC)NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F

Chemical ID:

7678353

Name [?]:

None

SMILES [?]:

COc1ccc(cc1OC)NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F

InChi [?]:

InChI=1/C20H17FN6O4/c1-30-15-8-5-13(9-16(15)31-2)23-17(28)10-26-11-22-19-18(20(26)29)24-25-27(19)14-6-3-12(21)4-7-14/h3-9,11H,10H2,1-2H3,(H,23,28)

InChi Info:

AuxInfo=1/1/N:1,10,27,29,5,26,30,4,7,14,16,28,6,25,3,8,12,19,18,20,31,17,11,22,23,15,24,13,21,2,9/E:(3,4)(6,7)/rA:31nCOCCCCCCOCNCOCNCNCCCONNNCCCCCCF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s12;s14;s15;d16;s17;d18;s15s19;d20;s19;d22;s18s23;s24;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₁₇FN₆O₄
All Atoms:	48
Heavy Atoms:	31
Chiral Atoms:	None

ZAP Information [?]

Total:	7.53924
Area:	628.963
Solvation:	-8.18485
Coulombic:	-63.9272

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:	0.93
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