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Chemical ID: 5989184
Chemical ID:
5989184
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)Nc4ccc(cc4)Cl
InChi [?]:
InChI=1/C20H18Cl2N4O2/c21-15-6-8-17(9-7-15)23-20(27)26-10-2-4-14(12-26)19-24-18(25-28-19)13-3-1-5-16(22)11-13/h1,3,5-9,11,14H,2,4,10,12H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,15,2,14,6,24,26,23,27,16,4,18,3,13,25,5,22,8,10,19,28,7,21,9,12,17,20,11/E:(6,7)(8,9)/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18Cl2N4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.4622 |
Area: | 641.263 |
Solvation: | -2.5694 |
Coulombic: | -44.0807 |
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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