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Chemical ID: 5988397
Chemical ID:
5988397
Name [?]:
[4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-phenyl-methanone
SMILES [?]:
c1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)Cl
InChi [?]:
InChI=1/C20H18ClN3O2/c21-17-8-4-7-16(13-17)18-22-19(26-23-18)14-9-11-24(12-10-14)20(25)15-5-2-1-3-6-15/h1-8,13-14H,9-12H2
InChi Info:
AuxInfo=1/0/N:1,2,6,22,3,5,21,23,11,13,10,14,25,12,4,20,24,17,15,7,26,16,18,9,8,19/E:(2,3)(5,6)(9,10)(11,12)/rA:26nCCCCCCCONCCCCCCNCNOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s9s13;s12;d15;s16;d17;s15s18;s17;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18ClN3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9332 |
Area: | 582.121 |
Solvation: | -2.61988 |
Coulombic: | -31.743 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 367.829 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.57 |
LogP (Chemaxon): | 3.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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