Chemical ID: 7729438

CCCNC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(cc3)OC(F)(F)F
Chemical ID:
7729438
Name [?]:
None
SMILES [?]:
CCCNC(=O)Cn1cnc2c(c1=O)nnn2c3ccc(cc3)OC(F)(F)F
InChi [?]:
InChI=1/C16H15F3N6O3/c1-2-7-20-12(26)8-24-9-21-14-13(15(24)27)22-23-25(14)10-3-5-11(6-4-10)28-16(17,18)19/h3-6,9H,2,7-8H2,1H3,(H,20,26)
InChi Info:
AuxInfo=1/1/N:1,2,19,23,20,22,3,7,9,18,21,5,12,11,13,25,26,27,28,4,10,15,16,8,17,6,14,24/E:(3,4)(5,6)(17,18,19)/rA:28nCCCNCOCNCNCCCONNNCCCCCCOCFFF/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;s8s12;d13;s12;d15;s11s16;s17;s18;d19;s20;d21;d18s22;s21;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15F3N6O3
All Atoms:43
Heavy Atoms:28
Chiral Atoms:None
ZAP Information [?]
Total:10.4007
Area:577.82
Solvation:-4.04484
Coulombic:-80.0643
Bond Count [?]
All:30
Single:22
Double:8
Rotors:8
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.59
LogP (Chemaxon):None

Name Annotations

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Descriptor Annotations

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