Chemical ID: 4837533

CCN(CC)CCCNc1cc(c(c2n1c3ccccc3n2)C#N)C(F)(F)F
Chemical ID:
4837533
Name [?]:
None
SMILES [?]:
CCN(CC)CCCNc1cc(c(c2n1c3ccccc3n2)C#N)C(F)(F)F
InChi [?]:
InChI=1/C20H22F3N5/c1-3-27(4-2)11-7-10-25-18-12-15(20(21,22)23)14(13-24)19-26-16-8-5-6-9-17(16)28(18)19/h5-6,8-9,12,25H,3-4,7,10-11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,5,2,4,19,18,7,20,17,8,6,11,23,13,12,21,16,10,14,25,26,27,28,24,9,22,3,15/E:(1,2)(3,4)(21,22,23)/rA:28nCCNCCCCCNCCCCCNCCCCCCNCNCFFF/rB:s1;s2;s3;s4;s3;s6;s7;s8;s9;d10;s11;d12;s13;s10s14;s15;s16;d17;s18;d19;d16s20;d14s21;s13;t23;s12;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22F3N5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.6704
Area:599.608
Solvation:-3.31982
Coulombic:-48.8397
Bond Count [?]
All:30
Single:23
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:389.418
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.71
LogP (Chemaxon):4.06

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Descriptor Annotations

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