Chemical ID: 5988170

Cc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)COc4ccccc4
Chemical ID:
5988170
Name [?]:
2-phenoxy-1-[2-[3-(p-tolyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-ethanone
SMILES [?]:
Cc1ccc(cc1)c2nc(on2)C3CCCCN3C(=O)COc4ccccc4
InChi [?]:
InChI=1/C22H23N3O3/c1-16-10-12-17(13-11-16)21-23-22(28-24-21)19-9-5-6-14-25(19)20(26)15-27-18-7-3-2-4-8-18/h2-4,7-8,10-13,19H,5-6,9,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,26,25,27,15,16,24,28,14,3,7,4,6,17,21,2,5,23,13,19,8,10,9,12,18,20,22,11/E:(3,4)(7,8)(10,11)(12,13)/rA:28cCCCCCCCCNCONCCCCCNCOCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;d8s11;s10;s13;s14;s15;s16;s13s17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.80376
Area:596.284
Solvation:-5.10333
Coulombic:-37.4342
Bond Count [?]
All:31
Single:22
Double:9
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:377.436
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.5
LogP (Chemaxon):4.12

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Descriptor Annotations

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