Chemical ID: 5989245

c1cc(cc(c1)Cl)c2nc(on2)C3CCN(CC3)C(=O)Nc4ccc(cc4F)F
Chemical ID:
5989245
Name [?]:
4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCN(CC3)C(=O)Nc4ccc(cc4F)F
InChi [?]:
InChI=1/C20H17ClF2N4O2/c21-14-3-1-2-13(10-14)18-25-19(29-26-18)12-6-8-27(9-7-12)20(28)24-17-5-4-15(22)11-16(17)23/h1-5,10-12H,6-9H2,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,24,23,14,18,15,17,4,26,13,3,5,25,27,22,8,10,19,7,29,28,21,9,12,16,20,11/E:(6,7)(8,9)/rA:29nCCCCCCClCNCONCCCNCCCONCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s16;d19;s19;s21;s22;d23;s24;d25;d22s26;s27;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17ClF2N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.6005
Area:616.896
Solvation:-3.82191
Coulombic:-50.1761
Bond Count [?]
All:32
Single:23
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:418.824
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.39
LogP (Chemaxon):4.03

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Descriptor Annotations

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