ChemDB: Chemical Search
Download
Chemical ID: 7718039
Chemical ID:
7718039
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)NC(=O)c2c(n(nn2)c3cccc(c3)C(F)(F)F)C
InChi [?]:
InChI=1/C19H17F3N4O/c1-11-7-8-15(9-12(11)2)23-18(27)17-13(3)26(25-24-17)16-6-4-5-14(10-16)19(20,21)22/h4-10H,1-3H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,8,27,19,20,18,3,4,6,22,2,7,13,21,5,17,12,10,23,24,25,26,9,16,15,14,11/E:(20,21,22)/rA:27nCCCCCCCCNCOCCNNNCCCCCCCFFFC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;d12;s13;s14;s12d15;s14;s17;d18;s19;d20;d17s21;s21;s23;s23;s23;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17F3N4O |
All Atoms: | 44 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.1446 |
Area: | 558.826 |
Solvation: | -2.82609 |
Coulombic: | -45.8416 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.48 |
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 |
---|