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Chemical ID: 7682733
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
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Experimental Annotations
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Descriptor Annotations
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