Chemical ID: 7679329

COc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccccc4C(F)(F)F)nn2
Chemical ID:
7679329
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)n2c3c(c(=O)n(cn3)CC(=O)Nc4ccccc4C(F)(F)F)nn2
InChi [?]:
InChI=1/C20H15F3N6O3/c1-32-13-8-6-12(7-9-13)29-18-17(26-27-29)19(31)28(11-24-18)10-16(30)25-15-5-3-2-4-14(15)20(21,22)23/h2-9,11H,10H2,1H3,(H,25,30)
InChi Info:
AuxInfo=1/1/N:1,24,23,25,22,5,7,4,8,17,15,6,3,26,21,18,11,10,12,27,28,29,30,16,20,31,32,14,9,19,13,2/E:(6,7)(8,9)(21,22,23)/rA:32nCOCCCCCCNCCCONCNCCONCCCCCCCFFFNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s11;d12;s12;s14;s10d15;s14;s17;d18;s18;s20;s21;d22;s23;d24;d21s25;s26;s27;s27;s27;s11;s9d31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H15F3N6O3
All Atoms:47
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:9.97101
Area:623.524
Solvation:-5.61709
Coulombic:-73.6116
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:2.05
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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