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Chemical ID: 5988119
Chemical ID:
5988119
Name [?]:
[4-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(p-tolyl)methanone
SMILES [?]:
Cc1ccc(cc1)C(=O)N2CCC(CC2)c3nc(no3)c4cccc(c4)C
InChi [?]:
InChI=1/C22H23N3O2/c1-15-6-8-18(9-7-15)22(26)25-12-10-17(11-13-25)21-23-20(24-27-21)19-5-3-4-16(2)14-19/h3-9,14,17H,10-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,27,23,24,22,3,7,4,6,12,14,11,15,26,2,25,13,5,21,18,16,8,17,19,10,9,20/E:(6,7)(8,9)(10,11)(12,13)/rA:27nCCCCCCCCONCCCCCCNCNOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s13;s10s14;s13;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.2715 |
Area: | 593.726 |
Solvation: | -2.57165 |
Coulombic: | -31.3942 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.437 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.83 |
LogP (Chemaxon): | 4.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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