ChemDB: Chemical Search
Download
Chemical ID: 7678005
Chemical ID:
7678005
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccc(cc4)OC(F)(F)F)nn2
InChi [?]:
InChI=1/C20H15F3N6O3/c1-12-2-6-14(7-3-12)29-18-17(26-27-29)19(31)28(11-24-18)10-16(30)25-13-4-8-15(9-5-13)32-20(21,22)23/h2-9,11H,10H2,1H3,(H,25,30)
InChi Info:
AuxInfo=1/1/N:1,3,7,21,25,4,6,22,24,16,14,2,20,5,23,17,10,9,11,27,28,29,30,15,19,31,32,13,8,18,12,26/E:(2,3)(4,5)(6,7)(8,9)(21,22,23)/rA:32nCCCCCCCNCCCONCNCCONCCCCCCOCFFFNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d11;s11;s13;s9d14;s13;s16;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;s27;s27;s27;s10;s8d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H15F3N6O3 |
All Atoms: | 47 |
Heavy Atoms: | 32 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.3009 |
Area: | 625.525 |
Solvation: | -4.33719 |
Coulombic: | -80.0037 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.81 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|