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Chemical ID: 5988362
Chemical ID:
5988362
Name [?]:
(2-chlorophenyl)-[2-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-methanone
SMILES [?]:
c1ccc(c(c1)C(=O)N2CCCCC2c3nc(no3)c4cccc(c4)Cl)Cl
InChi [?]:
InChI=1/C20H17Cl2N3O2/c21-14-7-5-6-13(12-14)18-23-19(27-24-18)17-10-3-4-11-25(17)20(26)15-8-1-2-9-16(15)22/h1-2,5-9,12,17H,3-4,10-11H2
InChi Info:
AuxInfo=1/0/N:1,2,12,11,22,21,23,6,3,13,10,25,20,24,5,4,14,17,15,7,26,27,16,18,9,8,19/rA:27cCCCCCCCONCCCCCCNCNOCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;s12;s9s13;s14;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17Cl2N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3446 |
Area: | 578.241 |
Solvation: | -3.11144 |
Coulombic: | -31.6584 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 402.273 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 5.63 |
LogP (Chemaxon): | 4.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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