Chemical ID: 7097831

Cc1ccccc1C(=O)N2CCCC(C2)c3nc(no3)c4cccc(c4)OC
Chemical ID:
7097831
Name [?]:
[3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-piperidyl]-(o-tolyl)methanone
SMILES [?]:
Cc1ccccc1C(=O)N2CCCC(C2)c3nc(no3)c4cccc(c4)OC
InChi [?]:
InChI=1/C22H23N3O3/c1-15-7-3-4-11-19(15)22(26)25-12-6-9-17(14-25)21-23-20(24-28-21)16-8-5-10-18(13-16)27-2/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,4,5,23,12,3,22,13,24,6,11,26,15,2,21,14,25,7,18,16,8,17,19,10,9,27,20/rA:28cCCCCCCCCONCCCCCCNCNOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s10;s11;s12;s13;s10s14;s14;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s25;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23N3O3
All Atoms:51
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.3942
Area:604.285
Solvation:-3.71297
Coulombic:-38.1383
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:377.436
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.3
LogP (Chemaxon):3.83

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Descriptor Annotations

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