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Chemical ID: 7658901
Chemical ID:
7658901
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)N(C2=O)CCCCN3CCN(CC3)c4cccc(c4)C(F)(F)F
InChi [?]:
InChI=1/C23H24F3N3O2/c24-23(25,26)17-6-5-7-18(16-17)28-14-12-27(13-15-28)10-3-4-11-29-21(30)19-8-1-2-9-20(19)22(29)31/h1-2,5-9,16H,3-4,10-15H2
InChi Info:
AuxInfo=1/0/N:1,2,14,13,24,25,23,6,3,15,12,17,21,18,20,27,26,22,5,4,7,10,28,29,30,31,16,19,9,8,11/E:(1,2)(8,9)(12,13)(14,15)(19,20)(21,22)(24,25,26)(30,31)/rA:31nCCCCCCCONCOCCCCNCCNCCCCCCCCCFFF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;d10;s9;s12;s13;s14;s15;s16;s17;s18;s19;s16s20;s19;s22;d23;s24;d25;d22s26;s26;s28;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H24F3N3O2 |
All Atoms: | 55 |
Heavy Atoms: | 31 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 12.1831 |
Area: | 646.768 |
Solvation: | -3.98614 |
Coulombic: | -57.7331 |
Bond Count [?]
All: | 34 |
Single: | 26 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.44 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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