Chemical ID: 7678374

c1cc(ccc1NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F)OC(F)(F)F
Chemical ID:
7678374
Name [?]:
None
SMILES [?]:
c1cc(ccc1NC(=O)Cn2cnc3c(c2=O)nnn3c4ccc(cc4)F)OC(F)(F)F
InChi [?]:
InChI=1/C19H12F4N6O3/c20-11-1-5-13(6-2-11)29-17-16(26-27-29)18(31)28(10-24-17)9-15(30)25-12-3-7-14(8-4-12)32-19(21,22)23/h1-8,10H,9H2,(H,25,30)
InChi Info:
AuxInfo=1/1/N:23,25,1,5,22,26,2,4,10,12,24,6,21,3,8,15,14,16,29,27,30,31,32,13,7,18,19,11,20,9,17,28/E:(1,2)(3,4)(5,6)(7,8)(21,22,23)/rA:32nCCCCCCNCOCNCNCCCONNNCCCCCCFOCFFF/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s11;d12;s13;d14;s11s15;d16;s15;d18;s14s19;s20;s21;d22;s23;d24;d21s25;s24;s3;s28;s29;s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H12F4N6O3
All Atoms:44
Heavy Atoms:32
Chiral Atoms:None
ZAP Information [?]
Total:10.0477
Area:609.22
Solvation:-5.18284
Coulombic:-82.9202
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:2.53
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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