Chemical ID: 7682733

Cc1ccn2c(c1)nc(c2NC(C)(C)CC(C)(C)C)c3ccc(cc3)F
Chemical ID:
7682733
Name [?]:
None
SMILES [?]:
Cc1ccn2c(c1)nc(c2NC(C)(C)CC(C)(C)C)c3ccc(cc3)F
InChi [?]:
InChI=1/C22H28FN3/c1-15-11-12-26-18(13-15)24-19(16-7-9-17(23)10-8-16)20(26)25-22(5,6)14-21(2,3)4/h7-13,25H,14H2,1-6H3
InChi Info:
AuxInfo=1/0/N:1,17,18,19,13,14,21,25,22,24,3,4,7,15,2,20,23,6,9,10,16,12,26,8,11,5/E:(2,3,4)(5,6)(7,8)(9,10)/rA:26nCCCCNCCNCCNCCCCCCCCCCCCCCF/rB:s1;s2;d3;s4;s5;d2s6;d6;s8;s5d9;s10;s11;s12;s12;s12;s15;s16;s16;s16;s9;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28FN3
All Atoms:54
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:10.8033
Area:518.058
Solvation:-2.14813
Coulombic:-29.9698
Bond Count [?]
All:28
Single:21
Double:7
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:6.94
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue