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Chemical ID: 5988044
Chemical ID:
5988044
Name [?]:
1-[3-[3-(m-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-2-phenyl-ethanone
SMILES [?]:
Cc1cccc(c1)c2nc(on2)C3CCCN(C3)C(=O)Cc4ccccc4
InChi [?]:
InChI=1/C22H23N3O2/c1-16-7-5-10-18(13-16)21-23-22(27-24-21)19-11-6-12-25(15-19)20(26)14-17-8-3-2-4-9-17/h2-5,7-10,13,19H,6,11-12,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,4,15,3,23,27,5,14,16,7,21,18,2,22,6,13,19,8,10,9,12,17,20,11/E:(3,4)(8,9)/rA:27cCCCCCCCCNCONCCCCNCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s17;d19;s19;s21;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23N3O2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8686 |
Area: | 596.503 |
Solvation: | -3.04402 |
Coulombic: | -29.907 |
Bond Count [?]
All: | 30 |
Single: | 21 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 361.437 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.2 |
LogP (Chemaxon): | 4.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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