Chemical ID: 5989186

c1cc(cc(c1)Cl)c2nc(on2)C3CCCN(C3)C(=O)Nc4cccc(c4)Cl
Chemical ID:
5989186
Name [?]:
3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCN(C3)C(=O)Nc4cccc(c4)Cl
InChi [?]:
InChI=1/C20H18Cl2N4O2/c21-15-6-1-4-13(10-15)18-24-19(28-25-18)14-5-3-9-26(12-14)20(27)23-17-8-2-7-16(22)11-17/h1-2,4,6-8,10-11,14H,3,5,9,12H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,24,15,2,14,6,25,23,16,4,27,18,3,13,5,26,22,8,10,19,7,28,21,9,12,17,20,11/rA:28cCCCCCCClCNCONCCCCNCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H18Cl2N4O2
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:13.4912
Area:641.214
Solvation:-2.53911
Coulombic:-44.1181
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:417.288
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.68
LogP (Chemaxon):5.06

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