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Chemical ID: 7668400
Chemical ID:
7668400
Name [?]:
None
SMILES [?]:
CN(CCCNC(=O)c1cccc(c1)C(F)(F)F)C(=O)c2cccc(c2)C(F)(F)F
InChi [?]:
InChI=1/C20H18F6N2O2/c1-28(18(30)14-6-3-8-16(12-14)20(24,25)26)10-4-9-27-17(29)13-5-2-7-15(11-13)19(21,22)23/h2-3,5-8,11-12H,4,9-10H2,1H3,(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,11,23,4,10,22,12,24,5,3,14,26,9,21,13,25,7,19,15,27,16,17,18,28,29,30,6,2,8,20/E:(21,22,23)(24,25,26)/rA:30nCNCCCNCOCCCCCCCFFFCOCCCCCCCFFF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;s15;s15;s15;s2;d19;s19;s21;d22;s23;d24;d21s25;s25;s27;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18F6N2O2 |
All Atoms: | 48 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.9486 |
Area: | 621.447 |
Solvation: | -4.58754 |
Coulombic: | -77.3989 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 10 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.99 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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