Chemical ID: 7688817

COc1ccc(cc1OC)c2cc(nc(n2)NCc3ccc(cc3)Cl)C(F)(F)F
Chemical ID:
7688817
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)c2cc(nc(n2)NCc3ccc(cc3)Cl)C(F)(F)F
InChi [?]:
InChI=1/C20H17ClF3N3O2/c1-28-16-8-5-13(9-17(16)29-2)15-10-18(20(22,23)24)27-19(26-15)25-11-12-3-6-14(21)7-4-12/h3-10H,11H2,1-2H3,(H,25,26,27)
InChi Info:
AuxInfo=1/1/N:1,10,20,24,5,21,23,4,7,12,18,19,6,22,11,3,8,13,15,26,25,27,28,29,17,16,14,2,9/E:(3,4)(6,7)(22,23,24)/rA:29nCOCCCCCCOCCCCNCNNCCCCCCCClCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;d12;s13;d14;d11s15;s15;s17;s18;s19;d20;s21;d22;d19s23;s22;s13;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClF3N3O2
All Atoms:46
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:9.88067
Area:630.641
Solvation:-5.88536
Coulombic:-58.4447
Bond Count [?]
All:31
Single:22
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.04
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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