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Chemical ID: 7688289
Chemical ID:
7688289
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2CC(n3c(c(cn3)C(=O)Nc4ccc(cc4)C(=O)N5CCOCC5)N2)C(F)F
InChi [?]:
InChI=1/C26H27F2N5O3/c1-16-2-4-17(5-3-16)21-14-22(23(27)28)33-24(31-21)20(15-29-33)25(34)30-19-8-6-18(7-9-19)26(35)32-10-12-36-13-11-32/h2-9,15,21-23,31H,10-14H2,1H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,21,23,20,24,28,32,29,31,9,14,2,5,22,19,13,8,10,34,12,16,25,35,36,15,18,33,27,11,17,26,30/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)(27,28)/rA:36cCCCCCCCCCCNCCCNCONCCCCCCCONCCOCCNCFF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;s11;d12;s13;s11d14;s13;d16;s16;s18;s19;d20;s21;d22;d19s23;s22;d25;s25;s27;s28;s29;s30;s27s31;s8s12;s10;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27F2N5O3 |
All Atoms: | 63 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.382 |
Area: | 713.698 |
Solvation: | -7.46043 |
Coulombic: | -71.4667 |
Bond Count [?]
All: | 40 |
Single: | 30 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.11 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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