ChemicalDetail: Details for an Individual Chemical

Download

Chemical ID: 7683637

Cc1ccc(c(c1)NC(=O)c2cc(nc3c2c(nn3C)C)c4c(nn(c4C)C)C)F

Chemical ID:

7683637

Name [?]:

None

SMILES [?]:

Cc1ccc(c(c1)NC(=O)c2cc(nc3c2c(nn3C)C)c4c(nn(c4C)C)C)F

InChi [?]:

InChI=1/C22H23FN6O/c1-11-7-8-16(23)17(9-11)25-22(30)15-10-18(19-12(2)26-28(5)14(19)4)24-21-20(15)13(3)27-29(21)6/h7-10H,1-6H3,(H,25,30)

InChi Info:

AuxInfo=1/1/N:1,29,21,27,28,20,3,4,7,12,2,23,17,26,11,5,6,13,22,16,15,9,30,14,8,24,18,25,19,10/rA:30nCCCCCCCNCOCCCNCCCNNCCCCNNCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s15s18;s19;s17;s13;s22;d23;s24;d22s25;s26;s25;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₂H₂₃FN₆O
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	11.1059
Area:	619.237
Solvation:	-4.37502
Coulombic:	-38.1345

Bond Count [?]

All:	33
Single:	23
Double:	10
Rotors:	4
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.04
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