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Chemical ID: 7678212

CC1CCN(CC1)C(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F

Chemical ID:

7678212

Name [?]:

None

SMILES [?]:

CC1CCN(CC1)C(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F

InChi [?]:

InChI=1/C18H19FN6O2/c1-12-6-8-23(9-7-12)15(26)10-24-11-20-17-16(18(24)27)21-22-25(17)14-4-2-13(19)3-5-14/h2-5,11-12H,6-10H2,1H3

InChi Info:

AuxInfo=1/0/N:1,23,25,22,26,3,7,4,6,10,12,2,24,21,8,15,14,16,27,13,18,19,5,11,20,9,17/E:(2,3)(4,5)(6,7)(8,9)/rA:27nCCCCNCCCOCNCNCCCONNNCCCCCCF/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;s8;s10;s11;d12;s13;d14;s11s15;d16;s15;d18;s14s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₁₉FN₆O₂
All Atoms:	46
Heavy Atoms:	27
Chiral Atoms:	None

ZAP Information [?]

Total:	9.61178
Area:	562.834
Solvation:	-4.45906
Coulombic:	-47.1444

Bond Count [?]

All:	30
Single:	22
Double:	8
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	1.31
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

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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