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Chemical ID: 5989220
Chemical ID:
5989220
Name [?]:
2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N,N-bis[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-piperidyl]-piperidine-1-carboxamide
SMILES [?]:
c1cc(cc(c1)Cl)c2nc(on2)C3CCCCN3C(=O)Nc4cccc(c4)F
InChi [?]:
InChI=1/C20H18ClFN4O2/c21-14-6-3-5-13(11-14)18-24-19(28-25-18)17-9-1-2-10-26(17)20(27)23-16-8-4-7-15(22)12-16/h3-8,11-12,17H,1-2,9-10H2,(H,23,27)
InChi Info:
AuxInfo=1/1/N:15,16,1,24,2,6,25,23,14,17,4,27,3,5,26,22,13,8,10,19,7,28,21,9,12,18,20,11/rA:28cCCCCCCClCNCONCCCCCNCONCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18ClFN4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2181 |
Area: | 592.851 |
Solvation: | -3.6032 |
Coulombic: | -47.3807 |
Bond Count [?]
All: | 31 |
Single: | 22 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 400.834 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.66 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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